Browse entries in the PDBbind-CN Database
HEADER 4K78_COMPLEX COMPND 4K78_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 43 GLY PRO ILE ARG LYS VAL LEU LEU LEU LYS GLU ASP HIS SEQRES 2 A 43 GLU GLY LEU GLY ILE SER ILE THR GLY GLY LYS GLU HIS SEQRES 3 A 43 GLY VAL PRO ILE LEU ILE SER ALA ILE HIS PRO GLY GLN SEQRES 4 A 43 PRO ALA ASP ARG SEQRES 1 A 43 GLY GLY LEU HIS VAL GLY ASP ALA ILE LEU ALA VAL ASN SEQRES 2 A 43 GLY VAL ASN LEU ARG ASP THR LYS HIS LYS GLU ALA VAL SEQRES 3 A 43 THR ILE LEU SER GLN GLN ARG GLY GLU ILE GLU PHE GLU SEQRES 4 A 43 VAL VAL TYR VAL HET ALA A 156 172 ATOM 1 N GLY A 284 10.560 40.482 32.142 1.00 9.24 N ATOM 2 CA GLY A 284 9.472 39.828 31.434 1.00 9.07 C ATOM 3 C GLY A 284 8.398 39.303 32.375 1.00 6.41 C ATOM 4 O GLY A 284 8.539 39.382 33.600 1.00 6.16 O ATOM 5 HN3 GLY A 284 11.006 39.804 32.792 1.00 0.00 H ATOM 6 HN2 GLY A 284 10.185 41.287 32.683 1.00 0.00 H ATOM 7 HN1 GLY A 284 11.264 40.821 31.456 1.00 0.00 H ATOM 8 N PRO A 285 7.316 38.752 31.810 1.00 6.86 N ATOM 9 CA PRO A 285 6.191 38.320 32.639 1.00 5.06 C ATOM 10 C PRO A 285 6.501 37.031 33.381 1.00 8.16 C ATOM 11 O PRO A 285 7.044 36.083 32.799 1.00 7.64 O ATOM 12 CB PRO A 285 5.064 38.078 31.624 1.00 9.98 C ATOM 13 CG PRO A 285 5.753 37.863 30.319 1.00 13.14 C ATOM 14 CD PRO A 285 7.020 38.681 30.367 1.00 11.15 C ATOM 15 N ILE A 286 6.168 37.017 34.661 1.00 4.36 N ATOM 16 CA ILE A 286 6.265 35.814 35.473 1.00 4.74 C ATOM 17 C ILE A 286 4.959 35.058 35.334 1.00 6.62 C ATOM 18 O ILE A 286 3.910 35.532 35.787 1.00 6.55 O ATOM 19 CB ILE A 286 6.484 36.152 36.955 1.00 8.34 C ATOM 20 CG1 ILE A 286 7.785 36.947 37.116 1.00 7.23 C ATOM 21 CG2 ILE A 286 6.499 34.859 37.784 1.00 4.84 C ATOM 22 CD1 ILE A 286 8.026 37.448 38.530 1.00 11.95 C ATOM 23 H ILE A 286 5.826 37.895 35.101 1.00 0.00 H ATOM 24 N ARG A 287 5.009 33.882 34.717 1.00 4.95 N ATOM 25 CA ARG A 287 3.797 33.077 34.553 1.00 5.18 C ATOM 26 C ARG A 287 3.684 32.008 35.629 1.00 10.34 C ATOM 27 O ARG A 287 4.677 31.394 36.000 1.00 6.85 O ATOM 28 CB ARG A 287 3.765 32.402 33.167 1.00 5.77 C ATOM 29 CG ARG A 287 3.874 33.387 32.017 1.00 12.00 C ATOM 30 CD ARG A 287 5.126 33.187 31.207 1.00 12.12 C ATOM 31 NE ARG A 287 5.267 31.805 30.737 1.00 8.99 N ATOM 32 CZ ARG A 287 6.433 31.247 30.444 1.00 9.29 C ATOM 33 NH1 ARG A 287 7.540 31.969 30.550 1.00 7.10 N ATOM 34 NH2 ARG A 287 6.497 29.969 30.055 1.00 6.25 N ATOM 35 HE ARG A 287 4.406 31.232 30.628 1.00 0.00 H ATOM 36 HH12 ARG A 287 8.462 31.544 30.323 1.00 0.00 H ATOM 37 HH11 ARG A 287 7.487 32.960 30.860 1.00 0.00 H ATOM 38 HH22 ARG A 287 7.417 29.540 29.827 1.00 0.00 H ATOM 39 HH21 ARG A 287 5.627 29.404 29.980 1.00 0.00 H ATOM 40 H ARG A 287 5.916 33.531 34.348 1.00 0.00 H ATOM 41 N LYS A 288 2.470 31.796 36.134 1.00 5.59 N ATOM 42 CA LYS A 288 2.227 30.698 37.060 1.00 3.91 C ATOM 43 C LYS A 288 1.648 29.577 36.224 1.00 9.14 C ATOM 44 O LYS A 288 0.631 29.766 35.554 1.00 11.50 O ATOM 45 CB LYS A 288 1.220 31.104 38.145 1.00 8.93 C ATOM 46 CG LYS A 288 0.941 29.985 39.148 1.00 11.92 C ATOM 47 CD LYS A 288 -0.052 30.442 40.212 1.00 19.36 C ATOM 48 CE LYS A 288 0.425 31.680 40.937 1.00 23.00 C ATOM 49 NZ LYS A 288 -0.599 32.088 41.966 1.00 27.98 N ATOM 50 HZ1 LYS A 288 -1.503 32.290 41.493 1.00 0.00 H ATOM 51 HZ2 LYS A 288 -0.729 31.315 42.649 1.00 0.00 H ATOM 52 HZ3 LYS A 288 -0.269 32.940 42.463 1.00 0.00 H ATOM 53 H LYS A 288 1.685 32.423 35.864 1.00 0.00 H ATOM 54 N VAL A 289 2.297 28.415 36.247 1.00 5.27 N ATOM 55 CA VAL A 289 1.938 27.334 35.327 1.00 6.45 C ATOM 56 C VAL A 289 1.605 26.061 36.082 1.00 5.61 C ATOM 57 O VAL A 289 2.379 25.610 36.926 1.00 6.18 O ATOM 58 CB VAL A 289 3.081 27.068 34.302 1.00 6.77 C ATOM 59 CG1 VAL A 289 2.723 25.909 33.344 1.00 6.87 C ATOM 60 CG2 VAL A 289 3.352 28.329 33.504 1.00 5.98 C ATOM 61 H VAL A 289 3.070 28.273 36.928 1.00 0.00 H ATOM 62 N LEU A 290 0.447 25.484 35.767 1.00 6.24 N ATOM 63 CA LEU A 290 -0.034 24.295 36.443 1.00 7.87 C ATOM 64 C LEU A 290 0.313 23.021 35.665 1.00 7.82 C ATOM 65 O LEU A 290 0.251 22.982 34.435 1.00 8.35 O ATOM 66 CB LEU A 290 -1.549 24.387 36.621 1.00 9.09 C ATOM 67 CG LEU A 290 -2.248 23.238 37.332 1.00 13.83 C ATOM 68 CD1 LEU A 290 -1.754 23.096 38.764 1.00 14.03 C ATOM 69 CD2 LEU A 290 -3.758 23.484 37.279 1.00 19.46 C ATOM 70 H LEU A 290 -0.132 25.900 35.010 1.00 0.00 H ATOM 71 N LEU A 291 0.680 21.985 36.411 1.00 6.53 N ATOM 72 CA LEU A 291 1.020 20.696 35.831 1.00 8.69 C ATOM 73 C LEU A 291 0.457 19.664 36.794 1.00 9.15 C ATOM 74 O LEU A 291 0.629 19.790 38.016 1.00 10.39 O ATOM 75 CB LEU A 291 2.549 20.578 35.747 1.00 11.90 C ATOM 76 CG LEU A 291 3.252 19.290 35.332 1.00 16.26 C ATOM 77 CD1 LEU A 291 4.652 19.589 34.782 1.00 10.56 C ATOM 78 CD2 LEU A 291 3.312 18.289 36.480 1.00 14.45 C ATOM 79 H LEU A 291 0.726 22.100 37.444 1.00 0.00 H ATOM 80 N LEU A 292 -0.207 18.644 36.257 1.00 10.96 N ATOM 81 CA LEU A 292 -0.708 17.558 37.082 1.00 13.97 C ATOM 82 C LEU A 292 0.060 16.295 36.717 1.00 19.33 C ATOM 83 O LEU A 292 0.204 15.953 35.540 1.00 18.14 O ATOM 84 CB LEU A 292 -2.218 17.364 36.891 1.00 17.43 C ATOM 85 CG LEU A 292 -3.100 18.618 37.007 1.00 24.11 C ATOM 86 CD1 LEU A 292 -4.565 18.290 36.705 1.00 28.23 C ATOM 87 CD2 LEU A 292 -2.980 19.248 38.373 1.00 20.04 C ATOM 88 H LEU A 292 -0.370 18.624 35.230 1.00 0.00 H ATOM 89 N LYS A 293 0.547 15.608 37.745 1.00 19.03 N ATOM 90 CA LYS A 293 1.487 14.501 37.606 1.00 22.53 C ATOM 91 C LYS A 293 0.932 13.316 38.416 1.00 25.47 C ATOM 92 O LYS A 293 0.477 13.507 39.544 1.00 20.10 O ATOM 93 CB LYS A 293 2.832 14.955 38.201 1.00 19.13 C ATOM 94 CG LYS A 293 4.049 14.095 37.926 1.00 24.05 C ATOM 95 CD LYS A 293 5.254 14.674 38.630 1.00 28.13 C ATOM 96 CE LYS A 293 6.109 13.606 39.270 1.00 35.01 C ATOM 97 NZ LYS A 293 5.321 12.719 40.166 1.00 36.80 N ATOM 98 HZ1 LYS A 293 4.891 13.287 40.924 1.00 0.00 H ATOM 99 HZ2 LYS A 293 4.573 12.249 39.617 1.00 0.00 H ATOM 100 HZ3 LYS A 293 5.949 12.002 40.582 1.00 0.00 H ATOM 101 H LYS A 293 0.241 15.874 38.703 1.00 0.00 H ATOM 102 N GLU A 294 0.941 12.112 37.845 1.00 19.90 N ATOM 103 CA GLU A 294 0.690 10.902 38.633 1.00 22.18 C ATOM 104 C GLU A 294 1.981 10.516 39.345 1.00 23.70 C ATOM 105 O GLU A 294 3.061 10.920 38.927 1.00 21.41 O ATOM 106 CB GLU A 294 0.231 9.754 37.738 1.00 27.59 C ATOM 107 CG GLU A 294 -1.138 9.966 37.106 1.00 39.71 C ATOM 108 CD GLU A 294 -2.252 9.995 38.132 1.00 48.23 C ATOM 109 OE1 GLU A 294 -2.107 9.345 39.189 1.00 49.93 O ATOM 110 OE2 GLU A 294 -3.271 10.672 37.884 1.00 55.09 O ATOM 111 H GLU A 294 1.129 12.030 36.825 1.00 0.00 H ATOM 112 N ASP A 295 1.887 9.720 40.408 1.00 21.47 N ATOM 113 CA ASP A 295 3.087 9.378 41.167 1.00 28.05 C ATOM 114 C ASP A 295 4.091 8.566 40.352 1.00 20.65 C ATOM 115 O ASP A 295 5.287 8.634 40.603 1.00 31.17 O ATOM 116 CB ASP A 295 2.733 8.647 42.468 1.00 38.53 C ATOM 117 CG ASP A 295 2.071 9.555 43.488 1.00 48.97 C ATOM 118 OD1 ASP A 295 2.344 10.777 43.475 1.00 48.58 O ATOM 119 OD2 ASP A 295 1.276 9.044 44.306 1.00 52.02 O ATOM 120 H ASP A 295 0.962 9.343 40.697 1.00 0.00 H ATOM 121 N HIS A 296 3.608 7.810 39.371 1.00 21.98 N ATOM 122 CA HIS A 296 4.497 6.969 38.567 1.00 34.23 C ATOM 123 C HIS A 296 5.132 7.725 37.398 1.00 34.84 C ATOM 124 O HIS A 296 5.872 7.143 36.603 1.00 33.37 O ATOM 125 CB HIS A 296 3.747 5.745 38.037 1.00 35.80 C ATOM 126 CG HIS A 296 2.685 6.077 37.039 1.00 32.14 C ATOM 127 ND1 HIS A 296 1.396 6.400 37.403 1.00 32.02 N ATOM 128 CD2 HIS A 296 2.723 6.147 35.687 1.00 34.28 C ATOM 129 CE1 HIS A 296 0.683 6.647 36.318 1.00 35.15 C ATOM 130 NE2 HIS A 296 1.467 6.505 35.265 1.00 38.92 N ATOM 131 H HIS A 296 2.587 7.816 39.172 1.00 0.00 H ATOM 132 N GLU A 297 4.839 9.017 37.294 1.00 23.16 N ATOM 133 CA GLU A 297 5.346 9.822 36.190 1.00 19.04 C ATOM 134 C GLU A 297 6.407 10.809 36.642 1.00 13.42 C ATOM 135 O GLU A 297 6.407 11.251 37.786 1.00 17.21 O ATOM 136 CB GLU A 297 4.229 10.662 35.588 1.00 20.21 C ATOM 137 CG GLU A 297 3.008 9.935 35.139 1.00 28.80 C ATOM 138 CD GLU A 297 2.066 10.895 34.461 1.00 26.34 C ATOM 139 OE1 GLU A 297 1.337 11.623 35.169 1.00 27.48 O ATOM 140 OE2 GLU A 297 2.100 10.955 33.223 1.00 25.11 O ATOM 141 H GLU A 297 4.236 9.462 38.015 1.00 0.00 H ATOM 142 N GLY A 298 7.290 11.177 35.721 1.00 16.22 N ATOM 143 CA GLY A 298 8.195 12.287 35.950 1.00 18.85 C ATOM 144 C GLY A 298 7.510 13.587 35.551 1.00 15.48 C ATOM 145 O GLY A 298 6.387 13.571 35.052 1.00 15.61 O ATOM 146 H GLY A 298 7.333 10.660 34.820 1.00 0.00 H ATOM 147 N LEU A 299 8.177 14.714 35.780 1.00 10.96 N ATOM 148 CA LEU A 299 7.665 16.014 35.334 1.00 11.04 C ATOM 149 C LEU A 299 7.669 16.135 33.816 1.00 8.65 C ATOM 150 O LEU A 299 6.814 16.816 33.230 1.00 10.51 O ATOM 151 CB LEU A 299 8.532 17.150 35.899 1.00 11.36 C ATOM 152 CG LEU A 299 8.546 17.347 37.411 1.00 13.25 C ATOM 153 CD1 LEU A 299 9.580 18.431 37.788 1.00 11.71 C ATOM 154 CD2 LEU A 299 7.150 17.733 37.863 1.00 15.91 C ATOM 155 H LEU A 299 9.084 14.673 36.288 1.00 0.00 H ATOM 156 N GLY A 300 8.650 15.509 33.180 1.00 9.16 N ATOM 157 CA GLY A 300 8.803 15.600 31.735 1.00 10.82 C ATOM 158 C GLY A 300 9.538 16.853 31.273 1.00 8.17 C ATOM 159 O GLY A 300 9.256 17.397 30.203 1.00 9.64 O ATOM 160 H GLY A 300 9.327 14.939 33.727 1.00 0.00 H ATOM 161 N ILE A 301 10.479 17.317 32.090 1.00 8.57 N ATOM 162 CA ILE A 301 11.340 18.430 31.706 1.00 5.45 C ATOM 163 C ILE A 301 12.774 18.081 32.048 1.00 7.34 C ATOM 164 O ILE A 301 13.019 17.222 32.904 1.00 10.54 O ATOM 165 CB ILE A 301 10.959 19.746 32.428 1.00 11.88 C ATOM 166 CG1 ILE A 301 11.317 19.683 33.915 1.00 11.35 C ATOM 167 CG2 ILE A 301 9.473 20.066 32.233 1.00 14.49 C ATOM 168 CD1 ILE A 301 11.071 21.019 34.664 1.00 14.25 C ATOM 169 H ILE A 301 10.604 16.876 33.024 1.00 0.00 H ATOM 170 N SER A 302 13.716 18.721 31.362 1.00 7.05 N ATOM 171 CA SER A 302 15.111 18.680 31.784 1.00 8.04 C ATOM 172 C SER A 302 15.495 20.086 32.213 1.00 8.83 C ATOM 173 O SER A 302 15.008 21.060 31.646 1.00 9.09 O ATOM 174 CB SER A 302 16.024 18.220 30.651 1.00 8.43 C ATOM 175 OG SER A 302 15.823 16.843 30.359 1.00 10.81 O ATOM 176 HG SER A 302 14.882 16.698 30.087 1.00 0.00 H ATOM 177 H SER A 302 13.454 19.259 30.511 1.00 0.00 H ATOM 178 N ILE A 303 16.362 20.189 33.211 1.00 8.57 N ATOM 179 CA ILE A 303 16.824 21.496 33.665 1.00 7.74 C ATOM 180 C ILE A 303 18.340 21.586 33.631 1.00 7.73 C ATOM 181 O ILE A 303 19.032 20.578 33.748 1.00 9.39 O ATOM 182 CB ILE A 303 16.355 21.821 35.094 1.00 7.23 C ATOM 183 CG1 ILE A 303 16.823 20.736 36.086 1.00 8.98 C ATOM 184 CG2 ILE A 303 14.838 22.016 35.132 1.00 7.43 C ATOM 185 CD1 ILE A 303 16.820 21.211 37.555 1.00 12.02 C ATOM 186 H ILE A 303 16.717 19.328 33.675 1.00 0.00 H ATOM 187 N THR A 304 18.836 22.807 33.478 1.00 7.34 N ATOM 188 CA THR A 304 20.265 23.084 33.500 1.00 7.92 C ATOM 189 C THR A 304 20.467 24.381 34.279 1.00 11.86 C ATOM 190 O THR A 304 19.515 24.912 34.844 1.00 12.34 O ATOM 191 CB THR A 304 20.827 23.198 32.063 1.00 9.57 C ATOM 192 OG1 THR A 304 22.262 23.207 32.097 1.00 11.08 O ATOM 193 CG2 THR A 304 20.303 24.450 31.370 1.00 8.81 C ATOM 194 HG1 THR A 304 22.586 22.367 32.509 1.00 0.00 H ATOM 195 H THR A 304 18.177 23.599 33.337 1.00 0.00 H ATOM 196 N GLY A 305 21.697 24.885 34.350 1.00 11.05 N ATOM 197 CA GLY A 305 21.942 26.118 35.078 1.00 11.54 C ATOM 198 C GLY A 305 22.044 25.914 36.582 1.00 12.04 C ATOM 199 O GLY A 305 22.283 24.803 37.043 1.00 13.07 O ATOM 200 H GLY A 305 22.486 24.394 33.882 1.00 0.00 H ATOM 201 N GLY A 306 21.862 26.986 37.346 1.00 10.08 N ATOM 202 CA GLY A 306 22.026 26.922 38.787 1.00 10.70 C ATOM 203 C GLY A 306 23.078 27.874 39.332 1.00 13.18 C ATOM 204 O GLY A 306 23.918 28.385 38.595 1.00 13.43 O ATOM 205 H GLY A 306 21.597 27.889 36.903 1.00 0.00 H ATOM 206 N LYS A 307 23.013 28.102 40.641 1.00 12.24 N ATOM 207 CA LYS A 307 23.857 29.071 41.323 1.00 17.90 C ATOM 208 C LYS A 307 25.346 28.903 40.999 1.00 14.76 C ATOM 209 O LYS A 307 26.059 29.890 40.793 1.00 18.87 O ATOM 210 CB LYS A 307 23.616 28.986 42.839 1.00 18.46 C ATOM 211 CG LYS A 307 24.468 29.934 43.682 1.00 23.34 C ATOM 212 CD LYS A 307 24.342 29.586 45.164 1.00 36.10 C ATOM 213 CE LYS A 307 25.315 30.379 46.023 1.00 46.60 C ATOM 214 NZ LYS A 307 24.911 31.806 46.168 1.00 53.02 N ATOM 215 HZ1 LYS A 307 24.874 32.252 45.229 1.00 0.00 H ATOM 216 HZ2 LYS A 307 23.973 31.856 46.614 1.00 0.00 H ATOM 217 HZ3 LYS A 307 25.606 32.303 46.761 1.00 0.00 H ATOM 218 H LYS A 307 22.326 27.561 41.204 1.00 0.00 H ATOM 219 N GLU A 308 25.818 27.663 40.944 1.00 17.06 N ATOM 220 CA GLU A 308 27.246 27.436 40.720 1.00 19.00 C ATOM 221 C GLU A 308 27.714 27.914 39.340 1.00 23.39 C ATOM 222 O GLU A 308 28.916 28.041 39.096 1.00 24.43 O ATOM 223 CB GLU A 308 27.638 25.974 40.990 1.00 18.93 C ATOM 224 CG GLU A 308 27.061 24.946 40.024 1.00 20.15 C ATOM 225 CD GLU A 308 25.744 24.346 40.512 1.00 19.13 C ATOM 226 OE1 GLU A 308 24.811 25.107 40.821 1.00 19.62 O ATOM 227 OE2 GLU A 308 25.647 23.113 40.587 1.00 23.75 O ATOM 228 H GLU A 308 25.174 26.855 41.060 1.00 0.00 H ATOM 229 N HIS A 309 26.762 28.198 38.450 1.00 19.46 N ATOM 230 CA HIS A 309 27.066 28.720 37.117 1.00 21.06 C ATOM 231 C HIS A 309 26.663 30.180 36.954 1.00 18.46 C ATOM 232 O HIS A 309 26.801 30.752 35.871 1.00 21.85 O ATOM 233 CB HIS A 309 26.381 27.886 36.034 1.00 20.89 C ATOM 234 CG HIS A 309 26.665 26.424 36.139 1.00 22.34 C ATOM 235 ND1 HIS A 309 27.924 25.897 35.950 1.00 22.34 N ATOM 236 CD2 HIS A 309 25.856 25.378 36.428 1.00 23.31 C ATOM 237 CE1 HIS A 309 27.876 24.587 36.117 1.00 24.18 C ATOM 238 NE2 HIS A 309 26.635 24.247 36.409 1.00 23.98 N ATOM 239 H HIS A 309 25.768 28.043 38.713 1.00 0.00 H ATOM 240 N GLY A 310 26.146 30.774 38.020 1.00 19.52 N ATOM 241 CA GLY A 310 25.783 32.176 37.998 1.00 19.94 C ATOM 242 C GLY A 310 24.525 32.454 37.201 1.00 20.27 C ATOM 243 O GLY A 310 24.276 33.592 36.794 1.00 20.21 O ATOM 244 H GLY A 310 25.998 30.223 38.889 1.00 0.00 H ATOM 245 N VAL A 311 23.721 31.418 36.974 1.00 13.26 N ATOM 246 CA VAL A 311 22.482 31.602 36.222 1.00 14.10 C ATOM 247 C VAL A 311 21.315 30.919 36.939 1.00 12.52 C ATOM 248 O VAL A 311 21.525 30.075 37.807 1.00 11.68 O ATOM 249 CB VAL A 311 22.588 31.051 34.784 1.00 18.51 C ATOM 250 CG1 VAL A 311 23.684 31.773 33.998 1.00 22.81 C ATOM 251 CG2 VAL A 311 22.830 29.555 34.799 1.00 14.72 C ATOM 252 H VAL A 311 23.975 30.475 37.333 1.00 0.00 H ATOM 253 N PRO A 312 20.075 31.274 36.566 1.00 14.19 N ATOM 254 CA PRO A 312 18.920 30.594 37.165 1.00 12.57 C ATOM 255 C PRO A 312 18.884 29.118 36.790 1.00 7.90 C ATOM 256 O PRO A 312 19.654 28.657 35.942 1.00 10.09 O ATOM 257 CB PRO A 312 17.712 31.276 36.498 1.00 14.62 C ATOM 258 CG PRO A 312 18.243 32.548 35.906 1.00 14.79 C ATOM 259 CD PRO A 312 19.681 32.296 35.581 1.00 18.18 C ATOM 260 N ILE A 313 17.976 28.388 37.428 1.00 6.12 N ATOM 261 CA ILE A 313 17.608 27.062 36.976 1.00 5.20 C ATOM 262 C ILE A 313 16.824 27.259 35.676 1.00 8.17 C ATOM 263 O ILE A 313 15.798 27.940 35.671 1.00 7.10 O ATOM 264 CB ILE A 313 16.718 26.355 38.015 1.00 8.17 C ATOM 265 CG1 ILE A 313 17.477 26.165 39.344 1.00 7.58 C ATOM 266 CG2 ILE A 313 16.240 25.018 37.464 1.00 8.11 C ATOM 267 CD1 ILE A 313 18.773 25.368 39.194 1.00 12.94 C ATOM 268 H ILE A 313 17.517 28.779 38.275 1.00 0.00 H ATOM 269 N LEU A 314 17.303 26.677 34.576 1.00 5.70 N ATOM 270 CA LEU A 314 16.687 26.936 33.261 1.00 4.84 C ATOM 271 C LEU A 314 16.122 25.653 32.672 1.00 6.57 C ATOM 272 O LEU A 314 16.722 24.600 32.804 1.00 7.63 O ATOM 273 CB LEU A 314 17.750 27.497 32.307 1.00 5.30 C ATOM 274 CG LEU A 314 18.277 28.878 32.697 1.00 9.14 C ATOM 275 CD1 LEU A 314 19.614 29.151 32.000 1.00 14.40 C ATOM 276 CD2 LEU A 314 17.268 29.960 32.369 1.00 12.08 C ATOM 277 H LEU A 314 18.118 26.035 34.646 1.00 0.00 H ATOM 278 N ILE A 315 14.959 25.730 32.036 1.00 4.75 N ATOM 279 CA ILE A 315 14.431 24.565 31.320 1.00 5.70 C ATOM 280 C ILE A 315 15.191 24.336 30.009 1.00 6.79 C ATOM 281 O ILE A 315 15.257 25.222 29.148 1.00 6.95 O ATOM 282 CB ILE A 315 12.942 24.745 31.036 1.00 4.46 C ATOM 283 CG1 ILE A 315 12.207 24.888 32.371 1.00 4.42 C ATOM 284 CG2 ILE A 315 12.398 23.594 30.179 1.00 7.26 C ATOM 285 CD1 ILE A 315 10.677 24.893 32.258 1.00 6.49 C ATOM 286 H ILE A 315 14.421 26.620 32.046 1.00 0.00 H ATOM 287 N SER A 316 15.758 23.140 29.854 1.00 7.05 N ATOM 288 CA SER A 316 16.520 22.813 28.634 1.00 6.75 C ATOM 289 C SER A 316 15.762 21.922 27.644 1.00 9.47 C ATOM 290 O SER A 316 16.144 21.829 26.469 1.00 13.13 O ATOM 291 CB SER A 316 17.845 22.138 29.003 1.00 10.91 C ATOM 292 OG SER A 316 17.587 20.953 29.736 1.00 12.11 O ATOM 293 HG SER A 316 18.445 20.519 29.973 1.00 0.00 H ATOM 294 H SER A 316 15.662 22.426 30.604 1.00 0.00 H ATOM 295 N ALA A 317 14.708 21.254 28.105 1.00 8.37 N ATOM 296 CA ALA A 317 13.940 20.365 27.232 1.00 6.22 C ATOM 297 C ALA A 317 12.574 20.111 27.824 1.00 9.67 C ATOM 298 O ALA A 317 12.426 20.076 29.039 1.00 9.06 O ATOM 299 CB ALA A 317 14.665 19.038 27.046 1.00 10.84 C ATOM 300 H ALA A 317 14.426 21.365 29.100 1.00 0.00 H ATOM 301 N ILE A 318 11.585 19.935 26.953 1.00 5.10 N ATOM 302 CA ILE A 318 10.256 19.477 27.350 1.00 6.92 C ATOM 303 C ILE A 318 10.014 18.159 26.623 1.00 13.25 C ATOM 304 O ILE A 318 10.065 18.105 25.393 1.00 13.55 O ATOM 305 CB ILE A 318 9.156 20.500 26.967 1.00 9.69 C ATOM 306 CG1 ILE A 318 9.424 21.844 27.649 1.00 16.55 C ATOM 307 CG2 ILE A 318 7.784 19.991 27.365 1.00 11.83 C ATOM 308 CD1 ILE A 318 9.383 21.773 29.122 1.00 19.56 C ATOM 309 H ILE A 318 11.765 20.131 25.948 1.00 0.00 H ATOM 310 N HIS A 319 9.793 17.085 27.376 1.00 7.58 N ATOM 311 CA HIS A 319 9.744 15.756 26.746 1.00 9.66 C ATOM 312 C HIS A 319 8.348 15.358 26.260 1.00 14.01 C ATOM 313 O HIS A 319 7.380 15.380 27.009 1.00 12.41 O ATOM 314 CB HIS A 319 10.379 14.712 27.667 1.00 11.55 C ATOM 315 CG HIS A 319 11.762 15.086 28.102 1.00 16.28 C ATOM 316 ND1 HIS A 319 12.860 14.967 27.279 1.00 18.25 N ATOM 317 CD2 HIS A 319 12.218 15.629 29.258 1.00 12.60 C ATOM 318 CE1 HIS A 319 13.938 15.390 27.917 1.00 20.96 C ATOM 319 NE2 HIS A 319 13.572 15.805 29.117 1.00 13.72 N ATOM 320 H HIS A 319 9.656 17.184 28.402 1.00 0.00 H ATOM 321 N PRO A 320 8.247 14.995 24.973 1.00 16.26 N ATOM 322 CA PRO A 320 6.944 14.717 24.361 1.00 15.28 C ATOM 323 C PRO A 320 6.137 13.660 25.101 1.00 13.76 C ATOM 324 O PRO A 320 6.660 12.596 25.464 1.00 19.09 O ATOM 325 CB PRO A 320 7.315 14.216 22.952 1.00 24.71 C ATOM 326 CG PRO A 320 8.742 13.767 23.059 1.00 23.42 C ATOM 327 CD PRO A 320 9.365 14.719 24.058 1.00 15.96 C ATOM 328 N GLY A 321 4.864 13.957 25.336 1.00 16.36 N ATOM 329 CA GLY A 321 3.964 12.981 25.916 1.00 16.46 C ATOM 330 C GLY A 321 3.922 12.959 27.432 1.00 18.79 C ATOM 331 O GLY A 321 2.997 12.398 28.003 1.00 19.40 O ATOM 332 H GLY A 321 4.508 14.905 25.100 1.00 0.00 H ATOM 333 N GLN A 322 4.909 13.574 28.085 1.00 15.42 N ATOM 334 CA GLN A 322 4.957 13.610 29.547 1.00 13.31 C ATOM 335 C GLN A 322 4.181 14.821 30.093 1.00 10.69 C ATOM 336 O GLN A 322 3.673 15.624 29.307 1.00 10.12 O ATOM 337 CB GLN A 322 6.411 13.576 30.017 1.00 11.57 C ATOM 338 CG GLN A 322 7.104 12.287 29.561 1.00 19.53 C ATOM 339 CD GLN A 322 8.510 12.127 30.111 1.00 23.83 C ATOM 340 OE1 GLN A 322 9.474 12.111 29.358 1.00 29.78 O ATOM 341 NE2 GLN A 322 8.623 11.973 31.421 1.00 25.99 N ATOM 342 HE22 GLN A 322 7.775 11.994 32.022 1.00 0.00 H ATOM 343 HE21 GLN A 322 9.560 11.831 31.849 1.00 0.00 H ATOM 344 H GLN A 322 5.663 14.040 27.541 1.00 0.00 H ATOM 345 N PRO A 323 4.047 14.931 31.430 1.00 12.48 N ATOM 346 CA PRO A 323 3.122 15.934 31.972 1.00 12.27 C ATOM 347 C PRO A 323 3.381 17.378 31.526 1.00 9.26 C ATOM 348 O PRO A 323 2.419 18.065 31.192 1.00 10.70 O ATOM 349 CB PRO A 323 3.295 15.783 33.483 1.00 9.73 C ATOM 350 CG PRO A 323 3.598 14.299 33.648 1.00 13.39 C ATOM 351 CD PRO A 323 4.498 13.985 32.475 1.00 13.56 C ATOM 352 N ALA A 324 4.623 17.850 31.531 1.00 10.52 N ATOM 353 CA ALA A 324 4.852 19.239 31.076 1.00 10.33 C ATOM 354 C ALA A 324 4.324 19.490 29.650 1.00 10.62 C ATOM 355 O ALA A 324 3.694 20.521 29.367 1.00 8.00 O ATOM 356 CB ALA A 324 6.324 19.617 31.184 1.00 13.02 C ATOM 357 H ALA A 324 5.416 17.257 31.848 1.00 0.00 H ATOM 358 N ASP A 325 4.595 18.553 28.750 1.00 9.62 N ATOM 359 CA ASP A 325 4.119 18.651 27.371 1.00 9.18 C ATOM 360 C ASP A 325 2.591 18.586 27.324 1.00 11.55 C ATOM 361 O ASP A 325 1.949 19.404 26.656 1.00 11.02 O ATOM 362 CB ASP A 325 4.732 17.527 26.517 1.00 8.77 C ATOM 363 CG ASP A 325 4.260 17.567 25.063 1.00 17.22 C ATOM 364 OD1 ASP A 325 4.116 18.675 24.520 1.00 19.00 O ATOM 365 OD2 ASP A 325 4.024 16.488 24.481 1.00 18.19 O ATOM 366 H ASP A 325 5.161 17.727 29.033 1.00 0.00 H ATOM 367 N ARG A 326 2.009 17.621 28.035 1.00 9.25 N ATOM 368 CA ARG A 326 0.558 17.432 27.998 1.00 13.31 C ATOM 369 C ARG A 326 -0.181 18.645 28.569 1.00 13.11 C ATOM 370 O ARG A 326 -1.167 19.114 28.003 1.00 12.08 O ATOM 371 CB ARG A 326 0.142 16.170 28.769 1.00 12.60 C ATOM 372 CG ARG A 326 0.722 14.886 28.204 1.00 25.91 C ATOM 373 CD ARG A 326 -0.101 13.683 28.632 1.00 27.85 C ATOM 374 NE ARG A 326 -0.268 13.611 30.081 1.00 27.59 N ATOM 375 CZ ARG A 326 0.551 12.947 30.894 1.00 25.47 C ATOM 376 NH1 ARG A 326 1.602 12.299 30.399 1.00 25.49 N ATOM 377 NH2 ARG A 326 0.319 12.928 32.197 1.00 24.88 N ATOM 378 HE ARG A 326 -1.077 14.109 30.504 1.00 0.00 H ATOM 379 HH12 ARG A 326 2.241 11.781 31.036 1.00 0.00 H ATOM 380 HH11 ARG A 326 1.785 12.310 29.375 1.00 0.00 H ATOM 381 HH22 ARG A 326 0.959 12.409 32.832 1.00 0.00 H ATOM 382 HH21 ARG A 326 -0.503 13.432 32.586 1.00 0.00 H ATOM 383 H ARG A 326 2.593 16.994 28.624 1.00 0.00 H TER 384 ARG A 326 ATOM 385 N GLY A 328 1.055 21.788 29.214 1.00 6.55 N ATOM 386 CA GLY A 328 1.398 23.039 28.561 1.00 10.25 C ATOM 387 C GLY A 328 1.869 24.169 29.472 1.00 7.02 C ATOM 388 O GLY A 328 1.725 24.117 30.698 1.00 7.57 O ATOM 389 HN3 GLY A 328 0.283 21.952 29.891 1.00 0.00 H ATOM 390 HN2 GLY A 328 1.888 21.422 29.718 1.00 0.00 H ATOM 391 HN1 GLY A 328 0.750 21.097 28.499 1.00 0.00 H ATOM 392 N GLY A 329 2.448 25.189 28.854 1.00 6.02 N ATOM 393 CA GLY A 329 2.733 26.424 29.575 1.00 6.66 C ATOM 394 C GLY A 329 4.189 26.634 29.917 1.00 7.35 C ATOM 395 O GLY A 329 4.574 27.738 30.278 1.00 9.29 O ATOM 396 H GLY A 329 2.701 25.108 27.848 1.00 0.00 H ATOM 397 N LEU A 330 4.997 25.583 29.810 1.00 3.94 N ATOM 398 CA LEU A 330 6.429 25.703 30.090 1.00 5.35 C ATOM 399 C LEU A 330 7.167 25.709 28.758 1.00 17.30 C ATOM 400 O LEU A 330 6.711 25.088 27.801 1.00 28.01 O ATOM 401 CB LEU A 330 6.901 24.558 30.967 1.00 4.83 C ATOM 402 CG LEU A 330 6.273 24.450 32.351 1.00 5.48 C ATOM 403 CD1 LEU A 330 6.836 23.214 33.077 1.00 13.95 C ATOM 404 CD2 LEU A 330 6.523 25.739 33.168 1.00 4.82 C ATOM 405 H LEU A 330 4.606 24.663 29.523 1.00 0.00 H ATOM 406 N HIS A 331 8.302 26.372 28.699 1.00 5.58 N ATOM 407 CA HIS A 331 9.040 26.317 27.465 1.00 6.77 C ATOM 408 C HIS A 331 10.511 26.366 27.742 1.00 8.39 C ATOM 409 O HIS A 331 10.962 26.808 28.797 1.00 7.44 O ATOM 410 CB HIS A 331 8.613 27.455 26.550 1.00 7.74 C ATOM 411 CG HIS A 331 7.143 27.728 26.594 1.00 9.95 C ATOM 412 ND1 HIS A 331 6.206 26.817 26.151 1.00 19.59 N ATOM 413 CD2 HIS A 331 6.448 28.786 27.061 1.00 8.27 C ATOM 414 CE1 HIS A 331 4.996 27.315 26.329 1.00 6.80 C ATOM 415 NE2 HIS A 331 5.112 28.511 26.871 1.00 13.11 N ATOM 416 H HIS A 331 8.652 26.915 29.514 1.00 0.00 H ATOM 417 N VAL A 332 11.250 25.886 26.767 1.00 7.89 N ATOM 418 CA VAL A 332 12.711 25.844 26.857 1.00 7.79 C ATOM 419 C VAL A 332 13.244 27.271 26.993 1.00 7.84 C ATOM 420 O VAL A 332 12.741 28.196 26.346 1.00 8.13 O ATOM 421 CB VAL A 332 13.306 25.127 25.627 1.00 9.70 C ATOM 422 CG1 VAL A 332 14.822 25.299 25.576 1.00 15.17 C ATOM 423 CG2 VAL A 332 12.920 23.652 25.658 1.00 10.12 C ATOM 424 H VAL A 332 10.785 25.527 25.909 1.00 0.00 H ATOM 425 N GLY A 333 14.255 27.467 27.838 1.00 5.40 N ATOM 426 CA GLY A 333 14.755 28.797 28.116 1.00 8.94 C ATOM 427 C GLY A 333 14.052 29.543 29.243 1.00 5.51 C ATOM 428 O GLY A 333 14.517 30.599 29.660 1.00 9.16 O ATOM 429 H GLY A 333 14.694 26.649 28.307 1.00 0.00 H ATOM 430 N ASP A 334 12.950 28.991 29.751 1.00 5.30 N ATOM 431 CA ASP A 334 12.318 29.534 30.956 1.00 6.14 C ATOM 432 C ASP A 334 13.242 29.366 32.167 1.00 6.13 C ATOM 433 O ASP A 334 13.817 28.295 32.381 1.00 6.55 O ATOM 434 CB ASP A 334 11.013 28.799 31.287 1.00 6.56 C ATOM 435 CG ASP A 334 9.829 29.286 30.480 1.00 8.68 C ATOM 436 OD1 ASP A 334 9.891 30.388 29.872 1.00 8.60 O ATOM 437 OD2 ASP A 334 8.823 28.554 30.478 1.00 9.82 O ATOM 438 H ASP A 334 12.532 28.161 29.284 1.00 0.00 H ATOM 439 N ALA A 335 13.362 30.417 32.961 1.00 4.85 N ATOM 440 CA ALA A 335 13.961 30.305 34.278 1.00 4.22 C ATOM 441 C ALA A 335 12.861 29.903 35.255 1.00 6.43 C ATOM 442 O ALA A 335 11.804 30.525 35.296 1.00 5.07 O ATOM 443 CB ALA A 335 14.566 31.621 34.698 1.00 9.00 C ATOM 444 H ALA A 335 13.020 31.343 32.635 1.00 0.00 H ATOM 445 N ILE A 336 13.110 28.869 36.052 1.00 4.87 N ATOM 446 CA ILE A 336 12.131 28.472 37.059 1.00 5.40 C ATOM 447 C ILE A 336 12.432 29.250 38.326 1.00 7.73 C ATOM 448 O ILE A 336 13.461 29.033 38.970 1.00 7.11 O ATOM 449 CB ILE A 336 12.160 26.952 37.346 1.00 5.14 C ATOM 450 CG1 ILE A 336 12.065 26.156 36.033 1.00 6.42 C ATOM 451 CG2 ILE A 336 11.034 26.589 38.303 1.00 4.58 C ATOM 452 CD1 ILE A 336 12.123 24.626 36.239 1.00 7.67 C ATOM 453 H ILE A 336 14.002 28.343 35.958 1.00 0.00 H ATOM 454 N LEU A 337 11.554 30.190 38.661 1.00 4.39 N ATOM 455 CA LEU A 337 11.759 31.026 39.847 1.00 5.01 C ATOM 456 C LEU A 337 11.289 30.349 41.137 1.00 8.36 C ATOM 457 O LEU A 337 11.843 30.597 42.212 1.00 7.33 O ATOM 458 CB LEU A 337 11.020 32.358 39.703 1.00 6.68 C ATOM 459 CG LEU A 337 11.360 33.176 38.450 1.00 6.82 C ATOM 460 CD1 LEU A 337 10.506 34.439 38.406 1.00 10.64 C ATOM 461 CD2 LEU A 337 12.849 33.522 38.413 1.00 9.26 C ATOM 462 H LEU A 337 10.709 30.334 38.073 1.00 0.00 H ATOM 463 N ALA A 338 10.249 29.535 41.031 1.00 7.30 N ATOM 464 CA ALA A 338 9.695 28.826 42.185 1.00 6.75 C ATOM 465 C ALA A 338 8.888 27.627 41.717 1.00 7.98 C ATOM 466 O ALA A 338 8.395 27.603 40.572 1.00 6.96 O ATOM 467 CB ALA A 338 8.793 29.763 43.009 1.00 6.45 C ATOM 468 H ALA A 338 9.812 29.395 40.098 1.00 0.00 H ATOM 469 N VAL A 339 8.740 26.648 42.609 1.00 5.00 N ATOM 470 CA VAL A 339 7.860 25.506 42.383 1.00 5.05 C ATOM 471 C VAL A 339 7.104 25.203 43.692 1.00 6.75 C ATOM 472 O VAL A 339 7.710 25.030 44.757 1.00 8.17 O ATOM 473 CB VAL A 339 8.614 24.270 41.843 1.00 6.26 C ATOM 474 CG1 VAL A 339 9.684 23.769 42.861 1.00 9.15 C ATOM 475 CG2 VAL A 339 7.633 23.163 41.502 1.00 7.49 C ATOM 476 H VAL A 339 9.272 26.700 43.501 1.00 0.00 H ATOM 477 N ASN A 340 5.780 25.191 43.617 1.00 6.52 N ATOM 478 CA ASN A 340 4.948 24.996 44.817 1.00 9.81 C ATOM 479 C ASN A 340 5.325 25.964 45.952 1.00 8.57 C ATOM 480 O ASN A 340 5.332 25.612 47.138 1.00 10.23 O ATOM 481 CB ASN A 340 4.949 23.531 45.262 1.00 10.46 C ATOM 482 CG ASN A 340 4.057 22.666 44.393 1.00 15.47 C ATOM 483 OD1 ASN A 340 3.186 23.187 43.696 1.00 10.98 O ATOM 484 ND2 ASN A 340 4.261 21.342 44.431 1.00 12.68 N ATOM 485 HD22 ASN A 340 5.010 20.948 45.036 1.00 0.00 H ATOM 486 HD21 ASN A 340 3.670 20.708 43.856 1.00 0.00 H ATOM 487 H ASN A 340 5.320 25.322 42.693 1.00 0.00 H ATOM 488 N GLY A 341 5.636 27.195 45.560 1.00 12.72 N ATOM 489 CA GLY A 341 5.944 28.251 46.513 1.00 13.94 C ATOM 490 C GLY A 341 7.368 28.211 47.048 1.00 15.78 C ATOM 491 O GLY A 341 7.779 29.103 47.785 1.00 15.22 O ATOM 492 H GLY A 341 5.660 27.410 44.543 1.00 0.00 H ATOM 493 N VAL A 342 8.125 27.187 46.670 1.00 11.37 N ATOM 494 CA VAL A 342 9.524 27.084 47.073 1.00 9.22 C ATOM 495 C VAL A 342 10.435 27.810 46.080 1.00 10.82 C ATOM 496 O VAL A 342 10.463 27.485 44.889 1.00 11.26 O ATOM 497 CB VAL A 342 9.986 25.620 47.221 1.00 8.90 C ATOM 498 CG1 VAL A 342 11.446 25.581 47.682 1.00 12.41 C ATOM 499 CG2 VAL A 342 9.086 24.862 48.209 1.00 9.46 C ATOM 500 H VAL A 342 7.712 26.442 46.074 1.00 0.00 H ATOM 501 N ASN A 343 11.188 28.784 46.593 1.00 7.89 N ATOM 502 CA ASN A 343 12.035 29.654 45.778 1.00 9.11 C ATOM 503 C ASN A 343 13.233 28.886 45.223 1.00 11.89 C ATOM 504 O ASN A 343 13.969 28.264 45.998 1.00 13.18 O ATOM 505 CB ASN A 343 12.511 30.814 46.685 1.00 17.46 C ATOM 506 CG ASN A 343 13.342 31.861 45.957 1.00 26.09 C ATOM 507 OD1 ASN A 343 13.361 31.933 44.726 1.00 21.24 O ATOM 508 ND2 ASN A 343 14.029 32.702 46.735 1.00 23.27 N ATOM 509 HD22 ASN A 343 13.985 32.606 47.770 1.00 0.00 H ATOM 510 HD21 ASN A 343 14.607 33.452 46.306 1.00 0.00 H ATOM 511 H ASN A 343 11.172 28.932 47.622 1.00 0.00 H ATOM 512 N LEU A 344 13.437 28.927 43.902 1.00 8.40 N ATOM 513 CA LEU A 344 14.599 28.297 43.268 1.00 9.66 C ATOM 514 C LEU A 344 15.626 29.322 42.772 1.00 13.25 C ATOM 515 O LEU A 344 16.593 28.962 42.113 1.00 14.01 O ATOM 516 CB LEU A 344 14.158 27.417 42.089 1.00 5.30 C ATOM 517 CG LEU A 344 13.286 26.209 42.435 1.00 9.27 C ATOM 518 CD1 LEU A 344 13.008 25.380 41.172 1.00 12.44 C ATOM 519 CD2 LEU A 344 13.954 25.336 43.509 1.00 8.53 C ATOM 520 H LEU A 344 12.747 29.423 43.303 1.00 0.00 H ATOM 521 N ARG A 345 15.414 30.597 43.078 1.00 14.71 N ATOM 522 CA ARG A 345 16.254 31.651 42.501 1.00 18.74 C ATOM 523 C ARG A 345 17.755 31.528 42.762 1.00 26.38 C ATOM 524 O ARG A 345 18.564 31.788 41.871 1.00 37.45 O ATOM 525 CB ARG A 345 15.768 33.035 42.935 1.00 25.11 C ATOM 526 CG ARG A 345 14.521 33.514 42.207 1.00 23.19 C ATOM 527 CD ARG A 345 13.966 34.743 42.914 1.00 27.19 C ATOM 528 NE ARG A 345 12.736 35.254 42.316 1.00 26.19 N ATOM 529 CZ ARG A 345 11.531 34.735 42.525 1.00 27.51 C ATOM 530 NH1 ARG A 345 11.387 33.661 43.303 1.00 26.51 N ATOM 531 NH2 ARG A 345 10.470 35.286 41.948 1.00 25.75 N ATOM 532 HE ARG A 345 12.808 36.078 41.685 1.00 0.00 H ATOM 533 HH12 ARG A 345 10.442 33.258 43.464 1.00 0.00 H ATOM 534 HH11 ARG A 345 12.220 33.226 43.749 1.00 0.00 H ATOM 535 HH22 ARG A 345 9.524 34.884 42.108 1.00 0.00 H ATOM 536 HH21 ARG A 345 10.585 36.119 41.336 1.00 0.00 H ATOM 537 H ARG A 345 14.646 30.850 43.732 1.00 0.00 H ATOM 538 N ASP A 346 18.126 31.131 43.975 1.00 19.88 N ATOM 539 CA ASP A 346 19.540 31.072 44.343 1.00 21.99 C ATOM 540 C ASP A 346 19.988 29.643 44.656 1.00 18.61 C ATOM 541 O ASP A 346 20.884 29.432 45.470 1.00 20.50 O ATOM 542 CB ASP A 346 19.802 31.996 45.543 1.00 23.83 C ATOM 543 CG ASP A 346 21.280 32.287 45.759 1.00 27.46 C ATOM 544 OD1 ASP A 346 22.030 32.393 44.766 1.00 30.09 O ATOM 545 OD2 ASP A 346 21.694 32.414 46.932 1.00 27.35 O ATOM 546 H ASP A 346 17.402 30.859 44.671 1.00 0.00 H ATOM 547 N THR A 347 19.368 28.660 44.008 1.00 16.61 N ATOM 548 CA THR A 347 19.677 27.253 44.292 1.00 12.19 C ATOM 549 C THR A 347 20.785 26.739 43.398 1.00 14.39 C ATOM 550 O THR A 347 20.885 27.136 42.238 1.00 15.42 O ATOM 551 CB THR A 347 18.438 26.333 44.104 1.00 17.47 C ATOM 552 OG1 THR A 347 17.931 26.459 42.761 1.00 20.64 O ATOM 553 CG2 THR A 347 17.348 26.712 45.095 1.00 21.66 C ATOM 554 HG1 THR A 347 17.668 27.399 42.596 1.00 0.00 H ATOM 555 H THR A 347 18.653 28.892 43.289 1.00 0.00 H ATOM 556 N LYS A 348 21.613 25.846 43.933 1.00 10.78 N ATOM 557 CA LYS A 348 22.567 25.098 43.116 1.00 11.42 C ATOM 558 C LYS A 348 21.800 24.042 42.313 1.00 9.66 C ATOM 559 O LYS A 348 20.673 23.678 42.661 1.00 9.71 O ATOM 560 CB LYS A 348 23.634 24.444 44.006 1.00 15.01 C ATOM 561 CG LYS A 348 24.346 25.436 44.922 1.00 19.77 C ATOM 562 CD LYS A 348 25.372 24.758 45.830 1.00 29.73 C ATOM 563 CE LYS A 348 26.669 24.432 45.093 1.00 42.59 C ATOM 564 NZ LYS A 348 26.511 23.282 44.162 1.00 46.68 N ATOM 565 HZ1 LYS A 348 26.223 22.439 44.699 1.00 0.00 H ATOM 566 HZ2 LYS A 348 25.784 23.508 43.454 1.00 0.00 H ATOM 567 HZ3 LYS A 348 27.416 23.097 43.684 1.00 0.00 H ATOM 568 H LYS A 348 21.581 25.676 44.958 1.00 0.00 H ATOM 569 N HIS A 349 22.400 23.548 41.235 1.00 10.25 N ATOM 570 CA HIS A 349 21.698 22.591 40.370 1.00 9.35 C ATOM 571 C HIS A 349 21.132 21.383 41.129 1.00 9.92 C ATOM 572 O HIS A 349 19.962 21.031 40.965 1.00 7.14 O ATOM 573 CB HIS A 349 22.614 22.121 39.233 1.00 12.33 C ATOM 574 CG HIS A 349 21.924 21.247 38.233 1.00 10.05 C ATOM 575 ND1 HIS A 349 21.296 21.754 37.117 1.00 14.23 N ATOM 576 CD2 HIS A 349 21.756 19.907 38.188 1.00 8.70 C ATOM 577 CE1 HIS A 349 20.774 20.758 36.422 1.00 13.87 C ATOM 578 NE2 HIS A 349 21.042 19.627 37.047 1.00 14.27 N ATOM 579 H HIS A 349 23.371 23.840 41.003 1.00 0.00 H ATOM 580 N LYS A 350 21.956 20.751 41.962 1.00 10.40 N ATOM 581 CA LYS A 350 21.530 19.529 42.637 1.00 11.42 C ATOM 582 C LYS A 350 20.402 19.782 43.630 1.00 10.28 C ATOM 583 O LYS A 350 19.523 18.943 43.797 1.00 11.02 O ATOM 584 CB LYS A 350 22.725 18.824 43.301 1.00 15.97 C ATOM 585 CG LYS A 350 22.354 17.772 44.352 1.00 35.21 C ATOM 586 CD LYS A 350 21.805 16.490 43.735 1.00 46.58 C ATOM 587 CE LYS A 350 21.614 15.406 44.797 1.00 52.18 C ATOM 588 NZ LYS A 350 21.140 14.111 44.221 1.00 52.71 N ATOM 589 HZ1 LYS A 350 20.226 14.258 43.747 1.00 0.00 H ATOM 590 HZ2 LYS A 350 21.837 13.763 43.532 1.00 0.00 H ATOM 591 HZ3 LYS A 350 21.028 13.414 44.984 1.00 0.00 H ATOM 592 H LYS A 350 22.909 21.130 42.133 1.00 0.00 H ATOM 593 N GLU A 351 20.437 20.943 44.282 1.00 9.12 N ATOM 594 CA GLU A 351 19.385 21.387 45.189 1.00 12.79 C ATOM 595 C GLU A 351 18.047 21.476 44.459 1.00 10.31 C ATOM 596 O GLU A 351 16.996 21.077 44.977 1.00 9.78 O ATOM 597 CB GLU A 351 19.730 22.801 45.663 1.00 18.36 C ATOM 598 CG GLU A 351 19.989 22.987 47.108 1.00 34.95 C ATOM 599 CD GLU A 351 20.082 24.463 47.432 1.00 27.68 C ATOM 600 OE1 GLU A 351 20.970 25.159 46.859 1.00 20.45 O ATOM 601 OE2 GLU A 351 19.226 24.928 48.211 1.00 23.83 O ATOM 602 H GLU A 351 21.257 21.565 44.137 1.00 0.00 H ATOM 603 N ALA A 352 18.082 22.058 43.270 1.00 9.89 N ATOM 604 CA ALA A 352 16.865 22.216 42.475 1.00 8.70 C ATOM 605 C ALA A 352 16.342 20.859 42.033 1.00 6.20 C ATOM 606 O ALA A 352 15.136 20.615 42.057 1.00 8.54 O ATOM 607 CB ALA A 352 17.129 23.137 41.268 1.00 7.58 C ATOM 608 H ALA A 352 18.988 22.407 42.897 1.00 0.00 H ATOM 609 N VAL A 353 17.250 19.967 41.635 1.00 7.54 N ATOM 610 CA VAL A 353 16.850 18.614 41.259 1.00 9.66 C ATOM 611 C VAL A 353 16.109 17.948 42.421 1.00 9.90 C ATOM 612 O VAL A 353 15.059 17.352 42.228 1.00 9.23 O ATOM 613 CB VAL A 353 18.061 17.752 40.808 1.00 13.23 C ATOM 614 CG1 VAL A 353 17.653 16.291 40.645 1.00 11.36 C ATOM 615 CG2 VAL A 353 18.619 18.298 39.503 1.00 11.08 C ATOM 616 H VAL A 353 18.253 20.238 41.592 1.00 0.00 H ATOM 617 N THR A 354 16.660 18.060 43.624 1.00 8.90 N ATOM 618 CA THR A 354 16.005 17.504 44.814 1.00 7.02 C ATOM 619 C THR A 354 14.596 18.064 45.041 1.00 8.26 C ATOM 620 O THR A 354 13.625 17.309 45.160 1.00 10.08 O ATOM 621 CB THR A 354 16.859 17.721 46.073 1.00 7.59 C ATOM 622 OG1 THR A 354 18.104 17.036 45.915 1.00 12.39 O ATOM 623 CG2 THR A 354 16.140 17.186 47.318 1.00 7.99 C ATOM 624 HG1 THR A 354 18.659 17.172 46.723 1.00 0.00 H ATOM 625 H THR A 354 17.572 18.550 43.725 1.00 0.00 H ATOM 626 N ILE A 355 14.482 19.385 45.099 1.00 6.82 N ATOM 627 CA ILE A 355 13.188 20.018 45.350 1.00 9.07 C ATOM 628 C ILE A 355 12.161 19.646 44.271 1.00 6.57 C ATOM 629 O ILE A 355 11.030 19.238 44.574 1.00 6.92 O ATOM 630 CB ILE A 355 13.350 21.541 45.427 1.00 6.94 C ATOM 631 CG1 ILE A 355 14.233 21.902 46.639 1.00 9.18 C ATOM 632 CG2 ILE A 355 12.007 22.223 45.581 1.00 10.02 C ATOM 633 CD1 ILE A 355 14.767 23.335 46.588 1.00 9.67 C ATOM 634 H ILE A 355 15.325 19.979 44.964 1.00 0.00 H ATOM 635 N LEU A 356 12.556 19.812 43.011 1.00 9.29 N ATOM 636 CA LEU A 356 11.677 19.491 41.894 1.00 10.50 C ATOM 637 C LEU A 356 11.226 18.036 41.930 1.00 12.21 C ATOM 638 O LEU A 356 10.050 17.744 41.711 1.00 11.50 O ATOM 639 CB LEU A 356 12.364 19.811 40.561 1.00 7.65 C ATOM 640 CG LEU A 356 12.391 21.321 40.335 1.00 7.87 C ATOM 641 CD1 LEU A 356 13.472 21.700 39.312 1.00 9.93 C ATOM 642 CD2 LEU A 356 10.996 21.882 39.927 1.00 9.25 C ATOM 643 H LEU A 356 13.511 20.178 42.820 1.00 0.00 H ATOM 644 N SER A 357 12.154 17.127 42.226 1.00 9.39 N ATOM 645 CA SER A 357 11.843 15.696 42.176 1.00 13.49 C ATOM 646 C SER A 357 10.923 15.247 43.317 1.00 19.04 C ATOM 647 O SER A 357 10.365 14.145 43.289 1.00 15.82 O ATOM 648 CB SER A 357 13.128 14.859 42.170 1.00 16.04 C ATOM 649 OG SER A 357 13.718 14.826 43.465 1.00 18.84 O ATOM 650 HG SER A 357 13.939 15.748 43.749 1.00 0.00 H ATOM 651 H SER A 357 13.110 17.437 42.496 1.00 0.00 H ATOM 652 N GLN A 358 10.769 16.100 44.322 1.00 13.58 N ATOM 653 CA GLN A 358 9.969 15.758 45.493 1.00 12.63 C ATOM 654 C GLN A 358 8.536 16.275 45.415 1.00 16.43 C ATOM 655 O GLN A 358 7.714 15.967 46.279 1.00 15.05 O ATOM 656 CB GLN A 358 10.662 16.270 46.762 1.00 7.11 C ATOM 657 CG GLN A 358 11.876 15.421 47.119 1.00 9.98 C ATOM 658 CD GLN A 358 12.686 15.980 48.265 1.00 13.59 C ATOM 659 OE1 GLN A 358 12.679 17.180 48.515 1.00 13.46 O ATOM 660 NE2 GLN A 358 13.414 15.101 48.961 1.00 14.28 N ATOM 661 HE22 GLN A 358 13.388 14.092 48.712 1.00 0.00 H ATOM 662 HE21 GLN A 358 14.006 15.427 49.751 1.00 0.00 H ATOM 663 H GLN A 358 11.228 17.032 44.274 1.00 0.00 H ATOM 664 N GLN A 359 8.234 17.059 44.380 1.00 10.90 N ATOM 665 CA GLN A 359 6.880 17.596 44.210 1.00 10.83 C ATOM 666 C GLN A 359 5.963 16.527 43.620 1.00 16.04 C ATOM 667 O GLN A 359 6.388 15.751 42.773 1.00 16.25 O ATOM 668 CB GLN A 359 6.899 18.835 43.298 1.00 9.90 C ATOM 669 CG GLN A 359 7.837 19.925 43.804 1.00 10.60 C ATOM 670 CD GLN A 359 7.676 20.188 45.307 1.00 10.00 C ATOM 671 OE1 GLN A 359 6.584 20.496 45.791 1.00 13.49 O ATOM 672 NE2 GLN A 359 8.778 20.083 46.045 1.00 11.33 N ATOM 673 HE22 GLN A 359 9.680 19.821 45.598 1.00 0.00 H ATOM 674 HE21 GLN A 359 8.738 20.263 47.068 1.00 0.00 H ATOM 675 H GLN A 359 8.969 17.293 43.683 1.00 0.00 H ATOM 676 N ARG A 360 4.714 16.487 44.082 1.00 15.53 N ATOM 677 CA ARG A 360 3.764 15.480 43.618 1.00 14.50 C ATOM 678 C ARG A 360 2.389 16.051 43.319 1.00 16.47 C ATOM 679 O ARG A 360 1.968 17.042 43.921 1.00 17.74 O ATOM 680 CB ARG A 360 3.622 14.358 44.656 1.00 20.74 C ATOM 681 CG ARG A 360 4.905 13.620 44.991 1.00 30.10 C ATOM 682 CD ARG A 360 4.583 12.340 45.758 1.00 44.42 C ATOM 683 NE ARG A 360 3.404 12.513 46.603 1.00 54.04 N ATOM 684 CZ ARG A 360 2.595 11.528 46.979 1.00 63.25 C ATOM 685 NH1 ARG A 360 2.834 10.284 46.586 1.00 63.80 N ATOM 686 NH2 ARG A 360 1.545 11.787 47.747 1.00 67.66 N ATOM 687 HE ARG A 360 3.182 13.474 46.933 1.00 0.00 H ATOM 688 HH12 ARG A 360 2.200 9.514 46.881 1.00 0.00 H ATOM 689 HH11 ARG A 360 3.656 10.078 45.983 1.00 0.00 H ATOM 690 HH22 ARG A 360 0.913 11.015 48.041 1.00 0.00 H ATOM 691 HH21 ARG A 360 1.354 12.762 48.056 1.00 0.00 H ATOM 692 H ARG A 360 4.409 17.188 44.788 1.00 0.00 H ATOM 693 N GLY A 361 1.685 15.411 42.387 1.00 16.32 N ATOM 694 CA GLY A 361 0.289 15.730 42.154 1.00 13.02 C ATOM 695 C GLY A 361 0.076 17.013 41.379 1.00 15.65 C ATOM 696 O GLY A 361 0.519 17.127 40.252 1.00 19.30 O ATOM 697 H GLY A 361 2.143 14.671 41.817 1.00 0.00 H ATOM 698 N GLU A 362 -0.602 17.974 41.994 1.00 17.66 N ATOM 699 CA GLU A 362 -0.864 19.265 41.366 1.00 25.49 C ATOM 700 C GLU A 362 0.294 20.200 41.673 1.00 22.58 C ATOM 701 O GLU A 362 0.505 20.565 42.825 1.00 23.35 O ATOM 702 CB GLU A 362 -2.174 19.840 41.913 1.00 36.26 C ATOM 703 CG GLU A 362 -2.558 21.213 41.383 1.00 44.83 C ATOM 704 CD GLU A 362 -3.941 21.651 41.852 1.00 52.30 C ATOM 705 OE1 GLU A 362 -4.714 20.790 42.327 1.00 54.75 O ATOM 706 OE2 GLU A 362 -4.254 22.856 41.748 1.00 51.59 O ATOM 707 H GLU A 362 -0.958 17.801 42.956 1.00 0.00 H ATOM 708 N ILE A 363 1.047 20.588 40.645 1.00 12.93 N ATOM 709 CA ILE A 363 2.286 21.330 40.849 1.00 8.05 C ATOM 710 C ILE A 363 2.242 22.688 40.145 1.00 11.39 C ATOM 711 O ILE A 363 1.900 22.754 38.980 1.00 11.59 O ATOM 712 CB ILE A 363 3.483 20.527 40.315 1.00 7.81 C ATOM 713 CG1 ILE A 363 3.518 19.150 41.007 1.00 12.40 C ATOM 714 CG2 ILE A 363 4.791 21.300 40.531 1.00 12.83 C ATOM 715 CD1 ILE A 363 4.469 18.187 40.402 1.00 14.52 C ATOM 716 H ILE A 363 0.745 20.357 39.677 1.00 0.00 H ATOM 717 N GLU A 364 2.587 23.760 40.860 1.00 7.32 N ATOM 718 CA GLU A 364 2.566 25.102 40.282 1.00 6.05 C ATOM 719 C GLU A 364 3.973 25.640 40.142 1.00 9.39 C ATOM 720 O GLU A 364 4.692 25.768 41.139 1.00 11.83 O ATOM 721 CB GLU A 364 1.777 26.081 41.170 1.00 11.99 C ATOM 722 CG GLU A 364 0.276 25.845 41.207 1.00 20.43 C ATOM 723 CD GLU A 364 -0.467 26.910 42.014 1.00 27.90 C ATOM 724 OE1 GLU A 364 0.196 27.749 42.673 1.00 24.47 O ATOM 725 OE2 GLU A 364 -1.716 26.897 41.990 1.00 29.58 O ATOM 726 H GLU A 364 2.877 23.638 41.851 1.00 0.00 H ATOM 727 N PHE A 365 4.356 25.974 38.912 1.00 6.02 N ATOM 728 CA PHE A 365 5.657 26.560 38.651 1.00 5.87 C ATOM 729 C PHE A 365 5.454 28.057 38.506 1.00 8.82 C ATOM 730 O PHE A 365 4.396 28.501 38.070 1.00 10.02 O ATOM 731 CB PHE A 365 6.214 26.058 37.316 1.00 5.81 C ATOM 732 CG PHE A 365 6.593 24.607 37.307 1.00 8.56 C ATOM 733 CD1 PHE A 365 5.633 23.621 37.140 1.00 11.84 C ATOM 734 CD2 PHE A 365 7.921 24.227 37.452 1.00 13.37 C ATOM 735 CE1 PHE A 365 5.997 22.277 37.137 1.00 11.94 C ATOM 736 CE2 PHE A 365 8.288 22.892 37.446 1.00 15.00 C ATOM 737 CZ PHE A 365 7.328 21.917 37.286 1.00 13.58 C ATOM 738 H PHE A 365 3.706 25.811 38.117 1.00 0.00 H ATOM 739 N GLU A 366 6.462 28.838 38.869 1.00 5.32 N ATOM 740 CA GLU A 366 6.499 30.241 38.501 1.00 4.09 C ATOM 741 C GLU A 366 7.758 30.403 37.646 1.00 4.82 C ATOM 742 O GLU A 366 8.870 30.088 38.091 1.00 5.80 O ATOM 743 CB GLU A 366 6.533 31.132 39.744 1.00 5.55 C ATOM 744 CG GLU A 366 5.299 30.901 40.625 1.00 15.50 C ATOM 745 CD GLU A 366 5.372 31.604 41.968 1.00 24.89 C ATOM 746 OE1 GLU A 366 5.344 32.852 41.971 1.00 25.02 O ATOM 747 OE2 GLU A 366 5.442 30.909 43.013 1.00 19.51 O ATOM 748 H GLU A 366 7.242 28.437 39.429 1.00 0.00 H ATOM 749 N VAL A 367 7.569 30.853 36.408 1.00 4.37 N ATOM 750 CA VAL A 367 8.640 30.894 35.424 1.00 3.80 C ATOM 751 C VAL A 367 8.679 32.229 34.703 1.00 5.44 C ATOM 752 O VAL A 367 7.671 32.909 34.571 1.00 7.03 O ATOM 753 CB VAL A 367 8.474 29.768 34.359 1.00 3.78 C ATOM 754 CG1 VAL A 367 8.649 28.388 35.000 1.00 6.78 C ATOM 755 CG2 VAL A 367 7.101 29.860 33.666 1.00 5.55 C ATOM 756 H VAL A 367 6.623 31.187 36.134 1.00 0.00 H ATOM 757 N VAL A 368 9.853 32.587 34.212 1.00 4.86 N ATOM 758 CA VAL A 368 9.985 33.754 33.346 1.00 3.57 C ATOM 759 C VAL A 368 10.953 33.406 32.215 1.00 4.28 C ATOM 760 O VAL A 368 12.028 32.855 32.455 1.00 5.02 O ATOM 761 CB VAL A 368 10.429 35.014 34.132 1.00 4.85 C ATOM 762 CG1 VAL A 368 11.764 34.786 34.823 1.00 9.37 C ATOM 763 CG2 VAL A 368 10.519 36.251 33.200 1.00 4.66 C ATOM 764 H VAL A 368 10.697 32.027 34.447 1.00 0.00 H ATOM 765 N TYR A 369 10.556 33.704 30.983 1.00 4.65 N ATOM 766 CA TYR A 369 11.433 33.419 29.850 1.00 7.49 C ATOM 767 C TYR A 369 12.625 34.383 29.848 1.00 11.26 C ATOM 768 O TYR A 369 12.447 35.596 29.990 1.00 8.60 O ATOM 769 CB TYR A 369 10.660 33.500 28.526 1.00 7.13 C ATOM 770 CG TYR A 369 11.578 33.262 27.353 1.00 3.49 C ATOM 771 CD1 TYR A 369 11.962 31.978 27.003 1.00 3.61 C ATOM 772 CD2 TYR A 369 12.074 34.328 26.618 1.00 10.21 C ATOM 773 CE1 TYR A 369 12.840 31.759 25.932 1.00 4.95 C ATOM 774 CE2 TYR A 369 12.947 34.126 25.548 1.00 11.74 C ATOM 775 CZ TYR A 369 13.323 32.847 25.213 1.00 5.74 C ATOM 776 OH TYR A 369 14.190 32.676 24.147 1.00 7.96 O ATOM 777 HH TYR A 369 15.038 33.151 24.334 1.00 0.00 H ATOM 778 H TYR A 369 9.624 34.139 30.826 1.00 0.00 H ATOM 779 N VAL A 370 13.833 33.844 29.686 1.00 7.17 N ATOM 780 CA VAL A 370 15.043 34.662 29.686 1.00 10.75 C ATOM 781 C VAL A 370 15.753 34.697 28.323 1.00 15.60 C ATOM 782 O VAL A 370 15.841 33.671 27.644 1.00 14.14 O ATOM 783 CB VAL A 370 16.030 34.192 30.762 1.00 13.78 C ATOM 784 CG1 VAL A 370 17.295 35.030 30.701 1.00 23.91 C ATOM 785 CG2 VAL A 370 15.384 34.285 32.138 1.00 16.52 C ATOM 786 H VAL A 370 13.916 32.815 29.556 1.00 0.00 H TER 787 VAL A 370 HETATM 788 O HOH 1 7.965 34.945 30.504 1.00 4.75 O HETATM 789 O HOH 2 2.047 37.301 34.699 1.00 10.78 O HETATM 790 O HOH 3 2.940 30.106 30.235 1.00 9.14 O HETATM 791 O HOH 4 6.827 16.729 29.228 1.00 9.42 O HETATM 792 O HOH 5 0.000 35.692 35.639 1.00 7.50 O HETATM 793 O HOH 6 16.163 29.723 39.363 1.00 10.74 O HETATM 794 O HOH 7 11.444 19.822 48.723 1.00 11.48 O HETATM 795 O HOH 8 16.574 33.853 25.100 1.00 16.37 O HETATM 796 O HOH 9 2.482 35.033 38.168 1.00 14.41 O HETATM 797 O HOH 10 5.096 28.319 42.945 1.00 12.09 O HETATM 798 O HOH 11 10.215 37.169 29.397 1.00 19.26 O HETATM 799 O HOH 12 12.620 39.174 33.211 1.00 19.38 O HETATM 800 O HOH 13 2.658 22.221 32.635 1.00 17.28 O HETATM 801 O HOH 14 19.918 18.150 47.623 1.00 19.24 O HETATM 802 O HOH 15 8.298 15.853 40.626 1.00 19.29 O HETATM 803 O HOH 16 12.068 20.585 24.158 1.00 17.82 O HETATM 804 O HOH 17 24.779 21.300 42.161 1.00 19.88 O HETATM 805 O HOH 18 3.581 34.424 40.617 1.00 27.08 O HETATM 806 O HOH 19 1.464 36.677 32.036 1.00 17.44 O HETATM 807 O HOH 20 20.930 31.048 40.530 1.00 21.03 O HETATM 808 O HOH 21 7.303 35.856 28.191 1.00 24.75 O HETATM 809 O HOH 22 2.727 12.706 41.500 1.00 26.28 O HETATM 810 O HOH 23 4.050 18.274 46.177 1.00 22.80 O HETATM 811 O HOH 24 8.919 11.473 26.388 1.00 26.77 O HETATM 812 O HOH 25 2.039 25.698 25.877 1.00 28.99 O HETATM 813 O HOH 26 1.771 19.518 44.897 1.00 31.20 O HETATM 814 O HOH 27 -2.949 22.884 28.471 1.00 25.91 O HETATM 815 O HOH 28 16.843 31.198 28.254 1.00 21.98 O HETATM 816 O HOH 29 -0.476 8.842 41.349 1.00 32.68 O HETATM 817 O HOH 30 7.841 18.514 23.645 1.00 32.67 O HETATM 818 O HOH 31 -2.774 15.133 30.810 1.00 39.87 O HETATM 819 O HOH 32 1.775 37.215 29.521 1.00 31.74 O HETATM 820 O HOH 33 28.166 30.245 33.712 1.00 27.77 O HETATM 821 O HOH 34 -2.018 17.543 44.561 1.00 30.86 O HETATM 822 O HOH 35 18.273 29.145 27.062 1.00 33.10 O HETATM 823 O HOH 36 -3.546 25.286 41.201 1.00 38.43 O HETATM 824 O HOH 37 0.923 19.237 23.701 1.00 31.70 O HETATM 825 O HOH 38 6.645 10.551 32.835 1.00 38.53 O HETATM 826 O HOH 39 19.347 29.039 40.988 1.00 25.10 O HETATM 827 O HOH 40 15.026 21.253 23.887 1.00 31.77 O HETATM 828 O HOH 41 19.980 31.122 49.056 1.00 37.35 O HETATM 829 O HOH 42 7.240 21.252 23.862 1.00 36.20 O HETATM 830 O HOH 43 4.003 10.408 31.575 1.00 30.38 O HETATM 831 O HOH 44 -4.954 22.906 26.894 1.00 31.69 O HETATM 832 O HOH 45 15.792 35.081 45.915 1.00 32.16 O HETATM 833 O HOH 46 21.282 27.844 47.723 1.00 28.46 O HETATM 834 O HOH 47 12.870 14.038 24.634 1.00 34.18 O HETATM 835 O HOH 48 6.636 17.537 21.437 1.00 44.96 O HETATM 836 O HOH 49 7.418 13.066 42.647 1.00 47.26 O HETATM 837 O HOH 50 1.047 15.993 24.027 1.00 43.30 O HETATM 838 O HOH 51 -3.860 18.530 29.270 1.00 44.36 O HETATM 839 O HOH 52 22.260 19.450 47.326 1.00 29.09 O HETATM 840 O HOH 53 -1.195 14.476 33.835 1.00 33.51 O HETATM 841 O HOH 54 -2.692 29.308 42.381 1.00 32.96 O HETATM 842 O HOH 55 18.217 28.708 47.953 1.00 34.64 O HETATM 843 O HOH 56 2.648 28.771 43.024 1.00 44.22 O HETATM 844 O HOH 57 16.592 30.053 46.250 1.00 29.88 O HETATM 845 O HOH 58 2.049 21.514 25.000 1.00 41.79 O HETATM 846 O HOH 59 5.511 23.367 26.050 1.00 38.23 O HETATM 847 O HOH 60 4.797 22.898 28.627 1.00 16.03 O HETATM 848 O HOH 61 13.794 37.806 31.116 1.00 26.31 O HETATM 849 O HOH 62 6.256 31.753 45.305 1.00 27.98 O HETATM 850 O HOH 63 -0.397 26.124 27.304 1.00 29.51 O HETATM 851 O HOH 64 4.597 34.444 44.040 1.00 31.92 O HETATM 852 O HOH 65 6.541 15.064 48.534 1.00 44.14 O HETATM 853 O HOH 66 11.121 12.602 32.506 1.00 25.35 O HETATM 854 O HOH 67 10.686 13.921 39.070 1.00 27.84 O HETATM 855 O HOH 68 23.885 22.804 35.620 1.00 24.49 O HETATM 856 O HOH 69 18.228 15.856 29.786 1.00 37.44 O HETATM 857 N ALA A 70 32.141 32.362 35.368 1.00 0.24 N HETATM 858 CA ALA A 70 31.206 31.742 34.434 1.00 0.06 C HETATM 859 C ALA A 70 31.740 30.405 33.933 1.00 0.23 C HETATM 860 O ALA A 70 32.852 30.327 33.425 1.00 -0.39 O HETATM 861 N ALA A 70 30.940 29.354 34.073 1.00 -0.26 N HETATM 862 CA ALA A 70 31.389 28.012 33.711 1.00 0.15 C HETATM 863 C ALA A 70 30.960 27.596 32.310 1.00 0.21 C HETATM 864 O ALA A 70 29.852 27.896 31.876 1.00 -0.39 O HETATM 865 N ALA A 70 31.845 26.908 31.602 1.00 -0.26 N HETATM 866 CA ALA A 70 31.543 26.477 30.245 1.00 0.15 C HETATM 867 C ALA A 70 30.646 25.240 30.260 1.00 0.21 C HETATM 868 O ALA A 70 29.928 24.973 29.290 1.00 -0.39 O HETATM 869 N ALA A 70 30.681 24.465 31.337 1.00 -0.26 N HETATM 870 CA ALA A 70 30.004 23.190 31.401 1.00 0.13 C HETATM 871 C ALA A 70 28.912 23.141 32.487 1.00 0.20 C HETATM 872 O ALA A 70 29.225 23.268 33.642 1.00 -0.39 O HETATM 873 N ALA A 70 27.671 22.861 32.111 1.00 -0.26 N HETATM 874 CA ALA A 70 26.557 22.800 33.053 1.00 0.14 C HETATM 875 C ALA A 70 25.909 21.425 33.051 1.00 0.21 C HETATM 876 O ALA A 70 25.691 20.835 31.991 1.00 -0.39 O HETATM 877 N ALA A 70 25.568 20.946 34.242 1.00 -0.26 N HETATM 878 CA ALA A 70 24.800 19.723 34.395 1.00 0.13 C HETATM 879 C ALA A 70 23.476 19.867 33.642 1.00 0.20 C HETATM 880 O ALA A 70 22.956 20.974 33.517 1.00 -0.39 O HETATM 881 N ALA A 70 22.938 18.762 33.136 1.00 -0.26 N HETATM 882 CA ALA A 70 21.607 18.783 32.557 1.00 0.14 C HETATM 883 C ALA A 70 20.882 17.541 33.048 1.00 0.21 C HETATM 884 O ALA A 70 21.340 16.422 32.818 1.00 -0.39 O HETATM 885 N ALA A 70 19.768 17.729 33.750 1.00 -0.26 N HETATM 886 CA ALA A 70 19.119 16.614 34.433 1.00 0.16 C HETATM 887 C ALA A 70 17.671 16.490 34.018 1.00 0.21 C HETATM 888 O ALA A 70 16.933 17.468 34.045 1.00 -0.39 O HETATM 889 N ALA A 70 17.279 15.289 33.607 1.00 -0.26 N HETATM 890 CA ALA A 70 15.891 15.007 33.286 1.00 0.13 C HETATM 891 C ALA A 70 15.086 14.689 34.543 1.00 0.20 C HETATM 892 O ALA A 70 15.529 13.913 35.403 1.00 -0.39 O HETATM 893 N ALA A 70 13.904 15.290 34.649 1.00 -0.27 N HETATM 894 CA ALA A 70 13.047 15.125 35.822 1.00 0.09 C HETATM 895 C ALA A 70 11.661 14.638 35.439 1.00 0.06 C HETATM 896 O ALA A 70 11.282 14.641 34.258 1.00 -0.57 O HETATM 897 OXT ALA A 70 10.894 14.252 36.335 1.00 -0.57 O HETATM 898 CB ALA A 70 12.907 16.453 36.577 1.00 -0.02 C HETATM 899 CG ALA A 70 14.200 17.186 36.924 1.00 -0.04 C HETATM 900 CD1 ALA A 70 13.926 18.640 37.314 1.00 -0.06 C HETATM 901 H ALA A 70 14.875 19.139 37.558 1.00 0.02 H HETATM 902 H ALA A 70 13.263 18.666 38.191 1.00 0.02 H HETATM 903 H ALA A 70 13.443 19.160 36.474 1.00 0.02 H HETATM 904 CD2 ALA A 70 14.916 16.449 38.030 1.00 -0.06 C HETATM 905 H ALA A 70 15.098 15.409 37.720 1.00 0.02 H HETATM 906 H ALA A 70 14.295 16.457 38.938 1.00 0.02 H HETATM 907 H ALA A 70 15.877 16.943 38.238 1.00 0.02 H HETATM 908 H ALA A 70 14.847 17.188 36.034 1.00 0.03 H HETATM 909 H ALA A 70 12.378 16.246 37.519 1.00 0.03 H HETATM 910 H ALA A 70 12.299 17.127 35.956 1.00 0.03 H HETATM 911 H ALA A 70 13.511 14.383 36.488 1.00 0.07 H HETATM 912 H ALA A 70 13.591 15.875 33.901 1.00 0.19 H HETATM 913 CB ALA A 70 15.805 13.845 32.295 1.00 -0.01 C HETATM 914 CG ALA A 70 14.413 13.525 31.841 1.00 -0.02 C HETATM 915 CD ALA A 70 14.474 12.585 30.660 1.00 0.06 C HETATM 916 NE ALA A 70 13.155 12.160 30.207 1.00 -0.27 N HETATM 917 CZ ALA A 70 12.914 11.629 29.012 1.00 0.29 C HETATM 918 NH1 ALA A 70 13.901 11.469 28.148 1.00 -0.28 N HETATM 919 H ALA A 70 13.714 11.058 27.223 1.00 0.26 H HETATM 920 H ALA A 70 14.858 11.756 28.400 1.00 0.26 H HETATM 921 NH2 ALA A 70 11.687 11.263 28.679 1.00 -0.28 N HETATM 922 H ALA A 70 10.914 11.385 29.348 1.00 0.26 H HETATM 923 H ALA A 70 11.505 10.856 27.750 1.00 0.26 H HETATM 924 H ALA A 70 12.361 12.278 30.852 1.00 0.26 H HETATM 925 H ALA A 70 15.050 11.694 30.950 1.00 0.07 H HETATM 926 H ALA A 70 14.983 13.097 29.830 1.00 0.07 H HETATM 927 H ALA A 70 13.901 14.453 31.546 1.00 0.03 H HETATM 928 H ALA A 70 13.860 13.046 32.663 1.00 0.03 H HETATM 929 H ALA A 70 16.225 12.950 32.776 1.00 0.03 H HETATM 930 H ALA A 70 16.406 14.101 31.410 1.00 0.03 H HETATM 931 H ALA A 70 15.457 15.901 32.815 1.00 0.08 H HETATM 932 H ALA A 70 17.957 14.560 33.516 1.00 0.19 H HETATM 933 CB ALA A 70 19.201 16.781 35.961 1.00 0.09 C HETATM 934 OG1 ALA A 70 20.574 16.868 36.355 1.00 -0.39 O HETATM 935 H ALA A 70 20.977 17.616 35.931 1.00 0.21 H HETATM 936 CG2 ALA A 70 18.539 15.609 36.680 1.00 -0.03 C HETATM 937 H ALA A 70 18.613 15.757 37.767 1.00 0.03 H HETATM 938 H ALA A 70 19.047 14.674 36.401 1.00 0.03 H HETATM 939 H ALA A 70 17.480 15.552 36.389 1.00 0.03 H HETATM 940 H ALA A 70 18.684 17.709 36.245 1.00 0.06 H HETATM 941 H ALA A 70 19.643 15.688 34.154 1.00 0.08 H HETATM 942 H ALA A 70 19.370 18.645 33.811 1.00 0.19 H HETATM 943 CB ALA A 70 21.704 18.800 31.038 1.00 0.04 C HETATM 944 CG ALA A 70 20.355 18.882 30.377 1.00 0.04 C HETATM 945 OD1 ALA A 70 19.786 19.991 30.350 1.00 -0.57 O HETATM 946 OD2 ALA A 70 19.870 17.840 29.891 1.00 -0.57 O HETATM 947 H ALA A 70 22.204 17.878 30.706 1.00 0.05 H HETATM 948 H ALA A 70 22.301 19.672 30.732 1.00 0.05 H HETATM 949 H ALA A 70 21.068 19.681 32.892 1.00 0.08 H HETATM 950 H ALA A 70 23.456 17.907 33.154 1.00 0.19 H HETATM 951 CB ALA A 70 24.525 19.478 35.882 1.00 0.00 C HETATM 952 CG ALA A 70 25.771 19.471 36.772 1.00 0.04 C HETATM 953 CD ALA A 70 25.843 20.660 37.716 1.00 0.17 C HETATM 954 OE1 ALA A 70 25.782 21.815 37.294 1.00 -0.40 O HETATM 955 NE2 ALA A 70 25.970 20.379 39.006 1.00 -0.30 N HETATM 956 H ALA A 70 26.023 21.119 39.676 1.00 0.18 H HETATM 957 H ALA A 70 26.013 19.427 39.308 1.00 0.18 H HETATM 958 H ALA A 70 26.661 19.484 36.126 1.00 0.05 H HETATM 959 H ALA A 70 25.766 18.549 37.372 1.00 0.05 H HETATM 960 H ALA A 70 24.027 18.502 35.982 1.00 0.03 H HETATM 961 H ALA A 70 23.852 20.271 36.241 1.00 0.03 H HETATM 962 H ALA A 70 25.368 18.876 33.983 1.00 0.08 H HETATM 963 H ALA A 70 25.850 21.445 35.062 1.00 0.19 H HETATM 964 CB ALA A 70 25.468 23.795 32.645 1.00 0.00 C HETATM 965 CG ALA A 70 25.886 25.222 32.517 1.00 -0.04 C HETATM 966 CD1 ALA A 70 27.121 25.753 32.764 1.00 0.02 C HETATM 967 NE1 ALA A 70 27.103 27.111 32.539 1.00 -0.29 N HETATM 968 CE2 ALA A 70 25.842 27.478 32.134 1.00 0.06 C HETATM 969 CD2 ALA A 70 25.052 26.313 32.115 1.00 -0.02 C HETATM 970 CE3 ALA A 70 23.706 26.416 31.736 1.00 -0.07 C HETATM 971 CZ3 ALA A 70 23.206 27.660 31.396 1.00 -0.08 C HETATM 972 CH2 ALA A 70 24.021 28.801 31.428 1.00 -0.08 C HETATM 973 CZ2 ALA A 70 25.340 28.728 31.793 1.00 -0.04 C HETATM 974 H ALA A 70 25.968 29.612 31.815 1.00 0.05 H HETATM 975 H ALA A 70 23.598 29.762 31.158 1.00 0.05 H HETATM 976 H ALA A 70 22.168 27.755 31.100 1.00 0.05 H HETATM 977 H ALA A 70 23.070 25.538 31.710 1.00 0.05 H HETATM 978 H ALA A 70 27.904 27.748 32.655 1.00 0.22 H HETATM 979 H ALA A 70 27.991 25.185 33.091 1.00 0.08 H HETATM 980 H ALA A 70 24.670 23.747 33.401 1.00 0.04 H HETATM 981 H ALA A 70 25.070 23.474 31.671 1.00 0.04 H HETATM 982 H ALA A 70 26.925 23.037 34.062 1.00 0.08 H HETATM 983 H ALA A 70 27.491 22.685 31.143 1.00 0.19 H HETATM 984 CB ALA A 70 30.998 22.109 31.778 1.00 -0.01 C HETATM 985 CG ALA A 70 31.328 21.098 30.742 1.00 -0.02 C HETATM 986 CD ALA A 70 31.553 19.752 31.445 1.00 0.06 C HETATM 987 NE ALA A 70 32.070 18.774 30.524 1.00 -0.27 N HETATM 988 CZ ALA A 70 33.150 18.992 29.794 1.00 0.29 C HETATM 989 NH1 ALA A 70 33.801 20.131 29.941 1.00 -0.28 N HETATM 990 H ALA A 70 34.645 20.318 29.381 1.00 0.26 H HETATM 991 H ALA A 70 33.465 20.833 30.616 1.00 0.26 H HETATM 992 NH2 ALA A 70 33.586 18.083 28.947 1.00 -0.28 N HETATM 993 H ALA A 70 33.075 17.196 28.835 1.00 0.26 H HETATM 994 H ALA A 70 34.438 18.259 28.396 1.00 0.26 H HETATM 995 H ALA A 70 31.581 17.872 30.431 1.00 0.26 H HETATM 996 H ALA A 70 30.596 19.393 31.852 1.00 0.07 H HETATM 997 H ALA A 70 32.272 19.890 32.266 1.00 0.07 H HETATM 998 H ALA A 70 32.242 21.397 30.207 1.00 0.03 H HETATM 999 H ALA A 70 30.496 21.011 30.027 1.00 0.03 H HETATM 1000 H ALA A 70 30.589 21.572 32.646 1.00 0.03 H HETATM 1001 H ALA A 70 31.936 22.607 32.064 1.00 0.03 H HETATM 1002 H ALA A 70 29.558 22.974 30.419 1.00 0.08 H HETATM 1003 H ALA A 70 31.196 24.776 32.136 1.00 0.19 H HETATM 1004 CB ALA A 70 32.820 26.166 29.464 1.00 0.08 C HETATM 1005 OG ALA A 70 33.355 24.922 29.864 1.00 -0.39 O HETATM 1006 H ALA A 70 34.147 24.745 29.369 1.00 0.21 H HETATM 1007 H ALA A 70 33.561 26.956 29.653 1.00 0.06 H HETATM 1008 H ALA A 70 32.587 26.131 28.389 1.00 0.06 H HETATM 1009 H ALA A 70 31.010 27.293 29.734 1.00 0.08 H HETATM 1010 H ALA A 70 32.732 26.682 32.006 1.00 0.19 H HETATM 1011 CB ALA A 70 30.890 26.999 34.743 1.00 0.08 C HETATM 1012 CG ALA A 70 31.467 27.243 36.116 1.00 0.18 C HETATM 1013 OD1 ALA A 70 32.629 27.617 36.253 1.00 -0.40 O HETATM 1014 ND2 ALA A 70 30.653 27.046 37.142 1.00 -0.30 N HETATM 1015 H ALA A 70 30.981 27.192 38.075 1.00 0.18 H HETATM 1016 H ALA A 70 29.711 26.751 36.983 1.00 0.18 H HETATM 1017 H ALA A 70 31.177 25.989 34.414 1.00 0.06 H HETATM 1018 H ALA A 70 29.794 27.067 34.803 1.00 0.06 H HETATM 1019 H ALA A 70 32.489 28.012 33.734 1.00 0.08 H HETATM 1020 H ALA A 70 30.016 29.483 34.432 1.00 0.19 H HETATM 1021 CB ALA A 70 30.921 32.674 33.266 1.00 -0.00 C HETATM 1022 H ALA A 70 30.216 32.190 32.574 1.00 0.03 H HETATM 1023 H ALA A 70 31.859 32.896 32.737 1.00 0.03 H HETATM 1024 H ALA A 70 30.482 33.610 33.642 1.00 0.03 H HETATM 1025 H ALA A 70 30.261 31.557 34.966 1.00 0.11 H HETATM 1026 H ALA A 70 31.766 33.243 35.684 1.00 0.20 H HETATM 1027 H ALA A 70 33.023 32.519 34.906 1.00 0.20 H HETATM 1028 H ALA A 70 32.280 31.753 36.159 1.00 0.20 H CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 385 386 389 390 391 CONECT 389 385 CONECT 390 385 CONECT 391 385 CONECT 857 858 1026 1027 1028 CONECT 858 857 859 1021 1025 CONECT 859 858 860 861 CONECT 860 859 CONECT 861 859 862 1020 CONECT 862 861 863 1011 1019 CONECT 863 862 864 865 CONECT 864 863 CONECT 865 863 866 1010 CONECT 866 865 867 1004 1009 CONECT 867 866 868 869 CONECT 868 867 CONECT 869 867 870 1003 CONECT 870 869 871 984 1002 CONECT 871 870 872 873 CONECT 872 871 CONECT 873 871 874 983 CONECT 874 873 875 964 982 CONECT 875 874 876 877 CONECT 876 875 CONECT 877 875 878 963 CONECT 878 877 879 951 962 CONECT 879 878 880 881 CONECT 880 879 CONECT 881 879 882 950 CONECT 882 881 883 943 949 CONECT 883 882 884 885 CONECT 884 883 CONECT 885 883 886 942 CONECT 886 885 887 933 941 CONECT 887 886 888 889 CONECT 888 887 CONECT 889 887 890 932 CONECT 890 889 891 913 931 CONECT 891 890 892 893 CONECT 892 891 CONECT 893 891 894 912 CONECT 894 893 895 898 911 CONECT 895 894 896 897 CONECT 896 895 CONECT 897 895 CONECT 898 894 899 909 910 CONECT 899 898 900 904 908 CONECT 900 899 901 902 903 CONECT 901 900 CONECT 902 900 CONECT 903 900 CONECT 904 899 905 906 907 CONECT 905 904 CONECT 906 904 CONECT 907 904 CONECT 908 899 CONECT 909 898 CONECT 910 898 CONECT 911 894 CONECT 912 893 CONECT 913 890 914 929 930 CONECT 914 913 915 927 928 CONECT 915 914 916 925 926 CONECT 916 915 917 924 CONECT 917 916 918 921 CONECT 918 917 919 920 CONECT 919 918 CONECT 920 918 CONECT 921 917 922 923 CONECT 922 921 CONECT 923 921 CONECT 924 916 CONECT 925 915 CONECT 926 915 CONECT 927 914 CONECT 928 914 CONECT 929 913 CONECT 930 913 CONECT 931 890 CONECT 932 889 CONECT 933 886 934 936 940 CONECT 934 933 935 CONECT 935 934 CONECT 936 933 937 938 939 CONECT 937 936 CONECT 938 936 CONECT 939 936 CONECT 940 933 CONECT 941 886 CONECT 942 885 CONECT 943 882 944 947 948 CONECT 944 943 945 946 CONECT 945 944 CONECT 946 944 CONECT 947 943 CONECT 948 943 CONECT 949 882 CONECT 950 881 CONECT 951 878 952 960 961 CONECT 952 951 953 958 959 CONECT 953 952 954 955 CONECT 954 953 CONECT 955 953 956 957 CONECT 956 955 CONECT 957 955 CONECT 958 952 CONECT 959 952 CONECT 960 951 CONECT 961 951 CONECT 962 878 CONECT 963 877 CONECT 964 874 965 980 981 CONECT 965 964 966 969 CONECT 966 965 967 979 CONECT 967 966 968 978 CONECT 968 967 969 973 CONECT 969 965 968 970 CONECT 970 969 971 977 CONECT 971 970 972 976 CONECT 972 971 973 975 CONECT 973 968 972 974 CONECT 974 973 CONECT 975 972 CONECT 976 971 CONECT 977 970 CONECT 978 967 CONECT 979 966 CONECT 980 964 CONECT 981 964 CONECT 982 874 CONECT 983 873 CONECT 984 870 985 1000 1001 CONECT 985 984 986 998 999 CONECT 986 985 987 996 997 CONECT 987 986 988 995 CONECT 988 987 989 992 CONECT 989 988 990 991 CONECT 990 989 CONECT 991 989 CONECT 992 988 993 994 CONECT 993 992 CONECT 994 992 CONECT 995 987 CONECT 996 986 CONECT 997 986 CONECT 998 985 CONECT 999 985 CONECT 1000 984 CONECT 1001 984 CONECT 1002 870 CONECT 1003 869 CONECT 1004 866 1005 1007 1008 CONECT 1005 1004 1006 CONECT 1006 1005 CONECT 1007 1004 CONECT 1008 1004 CONECT 1009 866 CONECT 1010 865 CONECT 1011 862 1012 1017 1018 CONECT 1012 1011 1013 1014 CONECT 1013 1012 CONECT 1014 1012 1015 1016 CONECT 1015 1014 CONECT 1016 1014 CONECT 1017 1011 CONECT 1018 1011 CONECT 1019 862 CONECT 1020 861 CONECT 1021 858 1022 1023 1024 CONECT 1022 1021 CONECT 1023 1021 CONECT 1024 1021 CONECT 1025 858 CONECT 1026 857 CONECT 1027 857 CONECT 1028 857 MASTER 0 0 0 0 0 0 0 0 1026 2 180 8 END
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Related entries of code: 4k78
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4e34
RCSB PDB
PDBbind
87aa, >4E34_1|Chains... *
4e35
RCSB PDB
PDBbind
87aa, >4E35_1|Chains... at 100%
4joe
RCSB PDB
PDBbind
87aa, >4JOE_1|Chains... at 100%
4jof
RCSB PDB
PDBbind
87aa, >4JOF_1|Chains... at 100%
4jog
RCSB PDB
PDBbind
87aa, >4JOG_1|Chains... at 100%
4joh
RCSB PDB
PDBbind
87aa, >4JOH_1|Chains... at 100%
4joj
RCSB PDB
PDBbind
87aa, >4JOJ_1|Chains... at 100%
4jok
RCSB PDB
PDBbind
87aa, >4JOK_1|Chains... at 100%
4k6y
RCSB PDB
PDBbind
87aa, >4K6Y_1|Chains... at 100%
4k72
RCSB PDB
PDBbind
87aa, >4K72_1|Chains... at 100%
4k75
RCSB PDB
PDBbind
87aa, >4K75_1|Chain... at 100%
4k76
RCSB PDB
PDBbind
87aa, >4K76_1|Chains... at 100%
4nmo
RCSB PDB
PDBbind
87aa, >4NMO_1|Chains... at 100%
4nmp
RCSB PDB
PDBbind
87aa, >4NMP_1|Chains... at 100%
4nmq
RCSB PDB
PDBbind
87aa, >4NMQ_1|Chains... at 100%
4nmr
RCSB PDB
PDBbind
87aa, >4NMR_1|Chains... at 100%
4nms
RCSB PDB
PDBbind
87aa, >4NMS_1|Chains... at 100%
4nmt
RCSB PDB
PDBbind
87aa, >4NMT_1|Chains... at 100%
4nmv
RCSB PDB
PDBbind
87aa, >4NMV_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1aqc
RCSB PDB
PDBbind
10-mer
1awi
RCSB PDB
PDBbind
10-mer
1aze
RCSB PDB
PDBbind
10-mer
1bjr
RCSB PDB
PDBbind
10-mer
1cka
RCSB PDB
PDBbind
10-mer
1ckb
RCSB PDB
PDBbind
10-mer
1eb1
RCSB PDB
PDBbind
10-mer
1gbq
RCSB PDB
PDBbind
10-mer
1gvu
RCSB PDB
PDBbind
10-mer
1him
RCSB PDB
PDBbind
10-mer
1jd5
RCSB PDB
PDBbind
10-mer
1jd6
RCSB PDB
PDBbind
10-mer
1jmq
RCSB PDB
PDBbind
10-mer
1pyw
RCSB PDB
PDBbind
10-mer
1vj6
RCSB PDB
PDBbind
10-mer
1vr1
RCSB PDB
PDBbind
10-mer
1y2a
RCSB PDB
PDBbind
10-mer
1ywi
RCSB PDB
PDBbind
10-mer
1yy6
RCSB PDB
PDBbind
10-mer
1zkk
RCSB PDB
PDBbind
10-mer
2a0t
RCSB PDB
PDBbind
10-mer
2aoh
RCSB PDB
PDBbind
10-mer
2aoj
RCSB PDB
PDBbind
10-mer
2axi
RCSB PDB
PDBbind
10-mer
2azm
RCSB PDB
PDBbind
10-mer
2b7f
RCSB PDB
PDBbind
10-mer
2c2l
RCSB PDB
PDBbind
10-mer
2gfa
RCSB PDB
PDBbind
10-mer
2h13
RCSB PDB
PDBbind
10-mer
2hrp
RCSB PDB
PDBbind
10-mer
2ig0
RCSB PDB
PDBbind
10-mer
2jmj
RCSB PDB
PDBbind
10-mer
2jqi
RCSB PDB
PDBbind
10-mer
2jql
RCSB PDB
PDBbind
10-mer
2k2r
RCSB PDB
PDBbind
10-mer
2ke1
RCSB PDB
PDBbind
10-mer
2mnz
RCSB PDB
PDBbind
10-mer
2nxd
RCSB PDB
PDBbind
10-mer
2nxl
RCSB PDB
PDBbind
10-mer
2nxm
RCSB PDB
PDBbind
10-mer
2o9v
RCSB PDB
PDBbind
10-mer
2peh
RCSB PDB
PDBbind
10-mer
2pr9
RCSB PDB
PDBbind
10-mer
2puy
RCSB PDB
PDBbind
10-mer
2qqs
RCSB PDB
PDBbind
10-mer
2r3y
RCSB PDB
PDBbind
10-mer
2r7g
RCSB PDB
PDBbind
10-mer
2rr4
RCSB PDB
PDBbind
10-mer
2v7d
RCSB PDB
PDBbind
10-mer
2vnf
RCSB PDB
PDBbind
10-mer
2w6t
RCSB PDB
PDBbind
10-mer
2w77
RCSB PDB
PDBbind
10-mer
2wa8
RCSB PDB
PDBbind
10-mer
2wp1
RCSB PDB
PDBbind
10-mer
2z5o
RCSB PDB
PDBbind
10-mer
3al3
RCSB PDB
PDBbind
10-mer
3bh8
RCSB PDB
PDBbind
10-mer
3bh9
RCSB PDB
PDBbind
10-mer
3bhb
RCSB PDB
PDBbind
10-mer
3c94
RCSB PDB
PDBbind
10-mer
3d1e
RCSB PDB
PDBbind
10-mer
3diw
RCSB PDB
PDBbind
10-mer
3dnj
RCSB PDB
PDBbind
10-mer
3dpc
RCSB PDB
PDBbind
10-mer
3dvp
RCSB PDB
PDBbind
10-mer
3ebb
RCSB PDB
PDBbind
10-mer
3er5
RCSB PDB
PDBbind
10-mer
3f9w
RCSB PDB
PDBbind
10-mer
3f9y
RCSB PDB
PDBbind
10-mer
3fe7
RCSB PDB
PDBbind
10-mer
3fea
RCSB PDB
PDBbind
10-mer
3gbq
RCSB PDB
PDBbind
10-mer
3gds
RCSB PDB
PDBbind
10-mer
3hg1
RCSB PDB
PDBbind
10-mer
3iqj
RCSB PDB
PDBbind
10-mer
3ivv
RCSB PDB
PDBbind
10-mer
3nkx
RCSB PDB
PDBbind
10-mer
3oq5
RCSB PDB
PDBbind
10-mer
3puj
RCSB PDB
PDBbind
10-mer
3puk
RCSB PDB
PDBbind
10-mer
3pxe
RCSB PDB
PDBbind
10-mer
3q8d
RCSB PDB
PDBbind
10-mer
3qzt
RCSB PDB
PDBbind
10-mer
3rwi
RCSB PDB
PDBbind
10-mer
3shv
RCSB PDB
PDBbind
10-mer
3szm
RCSB PDB
PDBbind
10-mer
3tkz
RCSB PDB
PDBbind
10-mer
3tl0
RCSB PDB
PDBbind
10-mer
3uii
RCSB PDB
PDBbind
10-mer
3uik
RCSB PDB
PDBbind
10-mer
3uvm
RCSB PDB
PDBbind
10-mer
3zmp
RCSB PDB
PDBbind
10-mer
3zmq
RCSB PDB
PDBbind
10-mer
4bg6
RCSB PDB
PDBbind
10-mer
4e34
RCSB PDB
PDBbind
10-mer
4e35
RCSB PDB
PDBbind
10-mer
4e3b
RCSB PDB
PDBbind
10-mer
4e81
RCSB PDB
PDBbind
10-mer
4e9d
RCSB PDB
PDBbind
10-mer
4er4
RCSB PDB
PDBbind
10-mer
4h39
RCSB PDB
PDBbind
10-mer
4h3b
RCSB PDB
PDBbind
10-mer
4hcz
RCSB PDB
PDBbind
10-mer
4i2w
RCSB PDB
PDBbind
10-mer
4i2z
RCSB PDB
PDBbind
10-mer
4jfd
RCSB PDB
PDBbind
10-mer
4jfe
RCSB PDB
PDBbind
10-mer
4jff
RCSB PDB
PDBbind
10-mer
4jjq
RCSB PDB
PDBbind
10-mer
4joe
RCSB PDB
PDBbind
10-mer
4jof
RCSB PDB
PDBbind
10-mer
4jog
RCSB PDB
PDBbind
10-mer
4joh
RCSB PDB
PDBbind
10-mer
4joj
RCSB PDB
PDBbind
10-mer
4jok
RCSB PDB
PDBbind
10-mer
4k6y
RCSB PDB
PDBbind
10-mer
4k72
RCSB PDB
PDBbind
10-mer
4k75
RCSB PDB
PDBbind
10-mer
4k76
RCSB PDB
PDBbind
10-mer
4lnp
RCSB PDB
PDBbind
10-mer
4mdr
RCSB PDB
PDBbind
10-mer
4n84
RCSB PDB
PDBbind
10-mer
4nmo
RCSB PDB
PDBbind
10-mer
4nmp
RCSB PDB
PDBbind
10-mer
4nmq
RCSB PDB
PDBbind
10-mer
4nmr
RCSB PDB
PDBbind
10-mer
4nms
RCSB PDB
PDBbind
10-mer
4nmt
RCSB PDB
PDBbind
10-mer
4nmv
RCSB PDB
PDBbind
10-mer
4o2c
RCSB PDB
PDBbind
10-mer
4oz1
RCSB PDB
PDBbind
10-mer
4p0a
RCSB PDB
PDBbind
10-mer
4p0b
RCSB PDB
PDBbind
10-mer
4qok
RCSB PDB
PDBbind
10-mer
4rqz
RCSB PDB
PDBbind
10-mer
4u90
RCSB PDB
PDBbind
10-mer
4v11
RCSB PDB
PDBbind
10-mer
4wj5
RCSB PDB
PDBbind
10-mer
4x1n
RCSB PDB
PDBbind
10-mer
4x1p
RCSB PDB
PDBbind
10-mer
4x1q
RCSB PDB
PDBbind
10-mer
4x1r
RCSB PDB
PDBbind
10-mer
4x1s
RCSB PDB
PDBbind
10-mer
4x34
RCSB PDB
PDBbind
10-mer
4x3s
RCSB PDB
PDBbind
10-mer
4x8n
RCSB PDB
PDBbind
10-mer
4xhv
RCSB PDB
PDBbind
10-mer
4z0u
RCSB PDB
PDBbind
10-mer
4z7i
RCSB PDB
PDBbind
10-mer
4zhl
RCSB PDB
PDBbind
10-mer
4zhm
RCSB PDB
PDBbind
10-mer
5ab0
RCSB PDB
PDBbind
10-mer
5aei
RCSB PDB
PDBbind
10-mer
5azg
RCSB PDB
PDBbind
10-mer
5c0m
RCSB PDB
PDBbind
10-mer
5c11
RCSB PDB
PDBbind
10-mer
5c13
RCSB PDB
PDBbind
10-mer
5d6y
RCSB PDB
PDBbind
10-mer
5gp7
RCSB PDB
PDBbind
10-mer
5gs4
RCSB PDB
PDBbind
10-mer
5gtr
RCSB PDB
PDBbind
10-mer
5iaw
RCSB PDB
PDBbind
10-mer
5j31
RCSB PDB
PDBbind
10-mer
5jzi
RCSB PDB
PDBbind
10-mer
5myo
RCSB PDB
PDBbind
10-mer
5n1y
RCSB PDB
PDBbind
10-mer
5nx2
RCSB PDB
PDBbind
10-mer
5t6z
RCSB PDB
PDBbind
10-mer
5t70
RCSB PDB
PDBbind
10-mer
5t8r
RCSB PDB
PDBbind
10-mer
5vnb
RCSB PDB
PDBbind
10-mer
5w7i
RCSB PDB
PDBbind
10-mer
5w7j
RCSB PDB
PDBbind
10-mer
5wkf
RCSB PDB
PDBbind
10-mer
5wkh
RCSB PDB
PDBbind
10-mer
6ar2
RCSB PDB
PDBbind
10-mer
6buu
RCSB PDB
PDBbind
10-mer
6fkp
RCSB PDB
PDBbind
10-mer
6mim
RCSB PDB
PDBbind
10-mer
6qtx
RCSB PDB
PDBbind
10-mer
6pek
RCSB PDB
PDBbind
10-mer
6iiw
RCSB PDB
PDBbind
10-mer
6hzx
RCSB PDB
PDBbind
10-mer
6hoi
RCSB PDB
PDBbind
10-mer
6dkp
RCSB PDB
PDBbind
10-mer
6a8n
RCSB PDB
PDBbind
10-mer
5zys
RCSB PDB
PDBbind
10-mer
Entry Information
PDB ID
4k78
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
CFTR Associated Ligand (CAL) E317A PDZ domain
Ligand Name
10-mer
EC.Number
E.C.-.-.-.-
Resolution
1.8(Å)
Affinity (Kd/Ki/IC50)
Ki=16.2uM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2014) Structure Vol. 22: pp. 82-93
Ligand Properties
Formula
C
5
2
H
8
6
N
1
9
O
1
7
Molecular Weight
1249.360
Exact Mass
1248.640
No. of atoms
174
No. of bonds
175
Polar Surface Area
638.59
LOGP Value
-3.32 (
Computed with XLOGP3
)
-5.19 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 15
No. of Hydrogen Bond Acceptors: 17
No. of Rotatable Bonds: 49
No. of Nitrogen and Oxygen Atoms: 36
No. of Rings: 2
Canonical SMILES
OC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)CCC[NH+]=C(N)N)[C@H](O)C)CC(=O)O)CCC(=O)N)Cc1c[nH]c2c1cccc2)CCC[NH+]=C(N)N)NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])C)CC(=O)N
InChI String
InChI=1S/C52H83N19O17/c1-23(2)17-35(50(87)88)69-43(80)30(12-8-16-61-52(58)59)65-49(86)40(25(4)73)71-47(84)34(20-39(76)77)68-44(81)31(13-14-37(54)74)64-45(82)32(18-26-21-62-28-10-6-5-9-27(26)28)67-42(79)29(11-7-15-60-51(56)57)63-48(85)36(22-72)70-46(83)33(19-38(55)75)66-41(78)24(3)53/h5-6,9-10,21,23-25,29-36,40,62,72-73H,7-8,11-20,22,53H2,1-4H3,(H2,54,74)(H2,55,75)(H,63,85)(H,64,82)(H,65,86)(H,66,78)(H,67,79)(H,68,81)(H,69,80)(H,70,83)(H,71,84)(H,76,77)(H,87,88)(H4,56,57,60)(H4,58,59,61)/p+3/t24-,25+,29-,30-,31-,32-,33-,34-,35-,36-,40-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q9HD26
Entrez Gene ID
NCBI Entrez Gene ID:
57120
ASD
Information of known allosteric effects of PDB entries
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